Cyanopeptide co-production dynamics beyond microcystins and effects of growth stages and nutrient availability
Regiane Natumi1, Elisabeth M.L. Janssen1*
1 Department of Environmental Chemistry, Swiss Federal Institute of Aquatic Science and Technology (Eawag), 8600 Dübendorf, Switzerland
Electronic Supplementary Information
The electronic supplementary information contains 50 pages numbered S1-S50, 13 figures, and 7 tables.
S 1 List of Tables
Table S1. Composition of modified WC growth medium (Guillard and Lorenzen, 1972)...... 6 Table S2. Standard analytical information including: absolute response factor (RF), relative response factor (RRF), matrix effect (ME) for Microcystis aeruginosa PCC7806 (PCC7806) and for Dolichospermum flos-aquae (Doli), limit of detection (LOD), limit of quantification (LOQ) and recovery from the SPE clean-up and concentration steps for all cyanopeptide for which a reference standard or bioreagent was available...... 8 Table S3. Relative response factor (RRF) to microcystin-LR and extraction method recovery in percent for the 10 most abundant cyanopeptides identified in extracts of Microcystis aeruginosa or Dolichospermum flos-aquae for which no reference standard or bioreagent was available...... 9 Table S4. Cyanopeptide suspect list with compound name, compound class, neutral molecular formula, and monoisotopic mass of M+H. The table is placed at the end of the document...... 9 Table S5. List of all tentatively identified cyanopeptides in cell extracts of Microcystis aeruginosa PCC7806. Only the peptides that could be classified as tentative candidate (level 3), probable structure (level 2) or confirmed structure (level 1) are reported...... 19 Table S6. List of all tentatively identified cyanopeptides in cell extracts of Dolichospermum flos-aquae. Only the peptides that could be classified as tentative candidate (level 3), probable structure (level 2) or confirmed structure (level 1) are reported...... 20 Table S7. Isobaric compound group name and individual compounds within each group with the same molecular formula...... 21
S 2 List of Figures
Figure S1. Correlation between optical density at 750nm and cell density (cells L-1) for three N:P conditions (N:P =2, N:P= 20, N:P= 40)...... 7 Figure S2. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of microcystin- LR (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted...... 10 Figure S3. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of cyanopeptolin A (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted...... 11 Figure S4. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of cyanopeptolin D (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted...... 12 Figure S5. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of aerucyclamide A (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted...... 13 Figure S6. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of oscillamide Y (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted...... 14 Figure S7. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of Anabaenopeptin NZ857 (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted. Both, Anabaenopeptin NZ857 and Oscillamide Y (see Figure S6), are isobaric compounds with the same m/z and RT. Here, the fragmentation spectrum of the biomass extract does not match with the fragmentation spectra of the bioreagent Anabaenopeptin NZ857 and we conclude that Anabaenopeptin NZ857 was not present at our samples...... 15 Figure S8. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of anabaenopeptin A (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted...... 16 Figure S9. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of anabaenopeptin B (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.a Several CID and HCD collision energies were
S 3 tested (CID 30 and 35; HCD 10, 20, 30, 40 and 50), however a better mass spectrometry fragmentation spectra could not be obtained for this compound. 17 Figure S10. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of microcystin- YR (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the CID collision energy are noted...... 18 Figure S11. Non-normalized growth curve of Microcystis aeruginosa PCC7806 under different N:P ratios in the WC-Medium...... 22 Figure S12. Total cyanopeptide concentrations in µmol L-1 as cyanopeptide class equivalents relative to total cell abundance for the cyclamides (left), microcystins (middle), and cyanopeptolins (right). The slope represents the cyanopeptide production rate in fmol cell-1 and parameters of the linear regression are listed in the insert...... 23 Figure S13. Total cyanopeptide concentrations in µmol L-1 cyanopeptide class equivalent relative to total cell abundance over the growth curve for three nutrient conditions N:P 2, 20 and 40...... 24
S 4 Additional Materials.
The following chemicals were purchased from Sigma-Aldrich/Merck AG: calcium chloride dehydrate (99%), magnesium sulfate heptahydrate (99.5%), di-potassium hydrogen phosphate trihydrate (99%), sodium nitrate (99%), ethylenediaminetetraacetic acid disodium salt dehydrate (99%), copper(II) sulfate pentahydrate (99-100.5%), boric acid (99.5-100.5%), TES buffer (99%, titration), sodium hydroxide (99%), and formic acid (98-100%). Sodium bicarbonate (99.7%), cobalt (II) chloride hexahydrate (>98.5%) and sodium molybdate dehydrate (99.5%) were obtained from Fluka. Manganese (II) chloride tetrahydrate was purchased from Riedel-de-Haen. Methanol (MeOH, Optima®LC/MS 99.9%) was obtained from Thermo Scientific. Nanopure water was obtained using a NANOpure®21 Barnstead from Thermo Fischer Scientific.
S 5 Table S1. Composition of modified WC growth medium (Guillard and Lorenzen, 1972).
Components Control +P(x10) -P(:2) +P -P -N -N and –P -MN (mg L-1) (x3) (:100) (:100) (:100) (:100) N/P=20 N/P=2 N/P=40
K2HPO4.3H2O 11.4 114 5.7 34.2 0.114 11.4 0.114 11.4
NaNO3 85 85 85 85 85 0.85 0.85 85
CaCl2.2H2O 36.8 36.8 36.8 36.8 36.8 36.8 36.8 36.8
MgSO4.7H2O 37 37 37 37 37 37 37 0.37
NaHCO3 12.6 12.6 12.6 12.6 12.6 12.6 12.6 12.6
Na2EDTA 4.36 4.36 4.36 4.36 4.36 4.36 4.36 0.0436
FeCl3.6H2O 3.15 3.15 3.15 3.15 3.15 3.15 3.15 0.0315
CuSO4.5H2O 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.0001
ZnSO4.7H2O 0.022 0.022 0.022 0.022 0.022 0.022 0.022 0.00022
CoCl2.6H2O 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.0001
MnCl2.4H2O 0.18 0.18 0.18 0.18 0.18 0.18 0.18 0.0018
Na2MoO4.2H2O 0.006 0.006 0.006 0.006 0.006 0.006 0.006 0.00006
H3BO3 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.01
TES buffer 115 115 115 115 115 115 115 115
S 6
Figure S1. Correlation between optical density at 750nm and cell density (cells mL-1) for three N:P conditions (N:P =2, N:P= 20, N:P= 40).
S 7 Table S2. Standard analytical information including: absolute response factor (RF), relative response factor (RRF), matrix effect (ME) for Microcystis aeruginosa PCC7806 (PCC7806) and for Dolichospermum flos-aquae (Doli), limit of detection (LOD), limit of quantification (LOQ) and recovery from the SPE clean-up and concentration steps for all cyanopeptide for which a reference standard or bioreagent was available.
Cyanopeptide RF RRF (MCLR) ME PCC7806 (%) ME Doli (%) LOD (µg/L) LOQ µg/L) Recovery (%) Microcystin LR 2.34E+10 1 9.43 6.55 1.58 5.26 85.84 Microcystin LY 1.54E+10 0.66 4.78 4.35 1.43 4.76 65.61 Microcystin LF 1.18E+10 0.51 3.63 1.52 1.24 4.12 61.54 Microcystin LA 2.84E+10 1.22 3.83 2.28 1.35 4.50 69.45 Microcystin LW 1.81E+10 0.78 5.05 7.64 1.07 3.55 16.74 Microcystin YR 1.89E+10 0.81 6.50 9.38 1.70 5.65 68.69 Microcystin RR 5.44E+10 2.33 1.95 0.85 1.52 5.06 63.49 [D-Asp3,E-Dhb7]MC-RR 5.36E+10 2.29 2.87 1.39 1.65 5.49 n.a. Nodularin 3.72E+10 1.59 2.61 3.18 1.68 5.59 73.91 Anabaenopeptin A 1.63E+10 0.70 -3.14 -2.98 0.90 3.01 92.49 Anabaenopeptin B 2.59E+10 1.11 -4.61 7.03 1.60 3.87 n.a. Oscillamide Y 2.00E+10 0.09 4.50 -70.30 1.91 6.38 n.a. Cyanopeptolin A 1.02E+10 0.44 -10.22 8.71 1.33 4.43 30.15 Cyanopeptolin D 6.89E+09 0.29 -12.73 9.21 1.42 4.74 n.a.
Aerucyclamide Aa 3.96E+09 0.17 1.89 3.55 1.23 4.11 n.a. aNote that the factor for Aerucyclamide A can be overestimated as the stability of the available bioreagent was not as certain. For some compounds the recovery was not determined indicated as “not analyzed” = n.a.
S 8 Table S3. Relative response factor (RRF) to microcystin-LR and extraction method recovery in percent for the 10 most abundant cyanopeptides identified in extracts of Microcystis aeruginosa or Dolichospermum flos-aquae for which no reference standard or bioreagent was available. Cyanopeptide RRF (MCLR) Recovery (%)
Aerucyclamide C n.a. 61.04
Aerucyclamide D n.a. 42.57
Cyanopeptolin B n.a. 63.74
Cyanopeptolin C n.a. 61.97
Cyanopeptolin 963A n.a. 57.83
MC-LR-demethyl group 1.78±0.22 63.94
Anabaenopeptin group 2.55±0.31 53.85
E,B1,F,MM850
MC-HtyR groupc n.a. 52.80
[l-Ser7]MC-EE(OMe) groupc 0.36±0.04 63.11 n.a. = not analyzed
Table S4. Cyanopeptide suspect list with compound name, compound class, neutral molecular formula, and monoisotopic mass of M+H. The table is placed at the end of the document.
S 9
Figure S2. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of microcystin-LR (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.
S 10
Figure S3. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of cyanopeptolin A (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.
S 11
Figure S4. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of cyanopeptolin D (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.
S 12
Figure S5. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of aerucyclamide A (top) and Microcystis aeruginosa biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.
S 13
Figure S6. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of oscillamide Y (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.
S 14
Figure S7. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of Anabaenopeptin NZ857 (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted. Both, Anabaenopeptin NZ857 and Oscillamide Y (see Figure S6), are isobaric compounds with the same m/z and RT. Here, the fragmentation spectrum of the biomass extract does not match with the fragmentation spectra of the bioreagent Anabaenopeptin NZ857 and we conclude that Anabaenopeptin NZ857 was not present at our samples.
S 15
Figure S8. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of anabaenopeptin A (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.
S 16
Figure S9. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of anabaenopeptin B (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the HCD collision energy are noted.a Several CID and HCD collision energies were tested (CID 30 and 35; HCD 10, 20, 30, 40 and 50), however a better mass spectrometry fragmentation spectra could not be obtained for this compound.
S 17
Figure S10. Comparison of intensity over m/z range for mass spectrometry fragmentation spectra between confirmed structures (Level 1) of microcystin-YR (top) and Dolichospermum flos-aquae biomass extract (bottom) in head to tail plots. The m/z value, the retention time (min) and the CID collision energy are noted.
S 18 Table S5. List of all tentatively identified cyanopeptides in cell extracts of Microcystis aeruginosa PCC7806. Only the peptides that could be classified as tentative candidate (level 3), probable structure (level 2) or confirmed structure (level 1) are reported.
Class-specific Microcystin-LR Reference standard or Confidence Cyanopeptide[reference] Molecular formula equivalentsa equivalentsb bioreagent used for Level mean stdev (%) mean stdev (%) quantification
1 Aerucyclamide A1 C24H34N6O4S2 43.4 10.0 32.8 9.1 Aerucyclamide A 3 Aerucyclamide C2 C24H32N6O5S 24.7 5.7 18.6 5.2 Aerucyclamide A 3 Aerucyclamide B3 C24H32N6O5S2 11.3 2.7 8.6 2.6 Aerucyclamide A 3 Aerucyclamide D2 C26H30N6O4S3 3.0 0.9 2.3 1.2 Aerucyclamide A total aerucyclamides 82.4 18.9 62.2 7.1 1 MC-LR4 C49H74N10O12 2.3 0.7 10.2 3.5 MC-LR 3 MC-LR-demethyl groupc C48H72N10O12 1.3 0.4 5.6 1.9 MC-LR total microcystins 3.5 1.0 15.8 8.0 1 Cyanopeptolin D5 C48H76N8O12 5.3 1.4 6.9 2.6 Cyanopeptolin D 1 Cyanopeptolin A 5 C46H71N10O12H 4.3 1.2 8.5 3.1 Cyanopeptolin A 3 Cyanopeptolin C5 C47H73N8O12H 2.6 0.8 3.4 1.7 Cyanopeptolin D 3 Cyanopeptolin B5 C46H71N8O12H 1.3 0.6 2.5 1.5 Cyanopeptolin A 3 Cyanopeptolin 963A6 C49H69N7O13 0.5 0.2 0.7 0.6 Cyanopeptolin D total cyanopeptolins 14.1 3.5 22.0 8.0 aQuantitative analysis based on selected positive ion chromatograms of the protonated peptides. Relative amounts of variants smaller than two percent of the total were not included. Quantification was based on class-equivalent (mol /mg dry weight of biomass).bQuantification was based on Microcystin-LR equivalentc isobaric compounds, see Table S7.dA compound was identified as: a) tentative candidate (Level 3) based on exact mass (< 5 ppm mass error), accurate isotopic pattern (idotp > 0.9), and in silico fragmentation data comparison; b) probable structures (Level 2) when unique fragments were observed or when retention time could be matched between samples from different cyanobacteria producing the same cyanopeptide; c) confirmed structures (Level 1) when reference standards or bioreagents were available.
S 19 Table S6. List of all tentatively identified cyanopeptides in cell extracts of Dolichospermum flos-aquae. Only the peptides that could be classified as tentative candidate (level 3), probable structure (level 2) or confirmed structure (level 1) are reported. Class-specific Microcystin-LR Reference standard Confidence Cyanopeptide[reference] Molecular equivalentsa equivalentsb or bioreagent used Level formula mean stdev (%) mean stdev (%) for quantification
1 Oscillamide Y 7 C45H59N7O10 83.3 23.3 33.2 8.3 Oscillamide Y 1 Anabaenopeptin A 8 C44H57N7O10 6.8 1.8 22.1 5.1 Anabaenopeptin A 3 Anabaenopeptin E groupc C42H62N10O9 1.9 0.4 9.9 1.7 Anabaenopeptin B 1 Anabaenopeptin B 9 C41H60N10O9 1.3 0.3 6.7 1.2 Anabaenopeptin B 3 Ferintoic acid B10 C47H60N8O9 0.3 < 0.1 1.1 0.2 Anabaenopeptin A 3 Anabaenopeptin 872 C46H61N7O10 0.1 <0.1 0.3 0.1 Anabaenopeptin A 3 Anabaenopeptin C11 C41H60 N8O9 0.1 <0.1 0.3 0.1 Anabaenopeptin B 3 Anabaenopeptin D12 C44H57 N7O9 0.1 <0.1 0.2 0.1 Anabaenopeptin A total aerucyclamides 93.91 23.4 73.7 8.8 1 MC-YR groupc C49H74N10O12 2.2 <0.1 8.1 1.5 MC-YR 3 MC-LR-demethyl groupc C48H72N10O12 1.4 <0.1 6.6 1.1 MC-LR 1 MC-LR 4 C48H76N8O12 0.7 0.1 3.2 0.6 MC-LR 3 MC-HtyR groupc, 13, 14 C46H71N10O12H 0.9 0.2 3.5 0.6 MC-YR 3 [I-Ser7]MC-EE(OMe) (Group)c C47H67N7O17 0.2 <0.1 2.7 0.5 MC-RR 3 MC-FR/MphR-dehydro (Group)c C52H72N10O12 0.2 <0.1 1.0 0.2 MC-LR 3 MC-LR_1008 (Group)c C50H76N10O12 0.1 <0.1 0.6 0.1 MC-LR 3 MC-MR15, 16 C48H72N10O12S 0.1 <0.1 0.2 0.1 MC-LR total microcystins 5.87 0.6 26.0 2.1 3 Micropeptin SF90917 C45H63N7O13 0.2 <0.1 0.4 0.2 Cyanopeptolin A total cyanopeptolins 0.2 <0.1 0.4 0.2 aQuantitative analysis based on selected positive ion chromatograms of the protonated peptides. Relative amounts of variants smaller than two percent of the total were not included. Quantification was based on class-equivalent (mol /mg dry weight of biomass).bQuantification was based in Microcystin-LR equivalentc isobaric compounds, see Table S7.dA compound was identified as: a) tentative candidate (Level 3) based on exact mass (< 5 ppm mass error), accurate isotopic pattern (idotp > 0.9), and in silico fragmentation data comparison; b) probable structures (Level 2) when unique fragments were observed or when retention time could be matched between samples from different cyanobacteria producing the same cyanopeptide; c) confirmed structures (Level 1) when reference standards or bioreagents were available.
S 20 Table S7. Isobaric compound group name and individual compounds within each group with the same molecular formula.
Cyanopeptide Cyanopeptide Molecular formula Group name
Anabaenopeptin E Anabaenopeptin E C42H62N10O9 Anabaenopeptin B1 Anabaenopeptin F Anabaenopeptin MM850 Anabaenopeptin DA850
MC-YR MC-YR C52H72N10O13 MC-RY Micropeptin 103 [D-Asp3, (E)-Dhb7]MC-HtyR [d-Asp3]MC-HtyR [Dha7]MC-HtyR [D-Asp3, (E)-Dhb7]MC-HtyR [D-Asp3,(Z)-Dhb7]MC-HtyR MC-LR-demethyl [d-Asp3 Dhb7]MC-LR C48H72N10O12 [d-Asp3 Dha7]MC-HilR [d-Asp3]MC-LR [Dha7]MC-LR [dmAdda5]MC-LR MC-HtyR MC-HtyR C53H74N10O13 [D-Glu(OMe)6]MC-YR [Asp3 MGlu6] MC-HtyR [I-Ser7]MC-EE(OMe) [I-Ser7]MC-EE(OMe) C47H67N7O17 [D-Asp3, Ser7]MC-E(OMe)E(OMe) MC-FR/MphR-dehydro MC-FR C52H72N10O12 [Asp3]MC‐HphR MC-LR_1008 [D-Glu(OCH3)6]MC-LR C50H76N10O12 [Mdhb7] MC-LR MC-HilR MC-LHar [Dhb7]MC-LHar [D-MeO-Glu6]MC-LR [MeAla1]MC-LR [Leu1, Asp3, DMAdda5]MC-LR
S 21
Figure S11. Non-normalized growth curve of Microcystis aeruginosa PCC7806 under different N:P ratios in the WC-Medium.
S 22
Figure S12. Total cyanopeptide concentrations in nmol mL-1 as cyanopeptide class equivalents relative to total cell abundance for the cyclamides (left), microcystins (middle), and cyanopeptolins (right). The slope represents the cyanopeptide production rate in fmol cell-1 and parameters of the linear regression are listed in the insert.
S 23
Figure S13. Total cyanopeptide concentrations in fmol cell-1 cyanopeptide class equivalent relative to cultivation time in days over the growth curve for three nutrient conditions N:P 2, 20 and 40.
S 24 Table S4: Cyanopeptide suspect list with compound name, compound class, neutral molecular formula, and monoisotopic mass of M+H.
Molecular formula monoisotopic
Compound Name Class (neutral) mass [M+H]
Aeruginosin 298B Aeruginosin C24H35N3O6 462.26036
Aeruginosin EI461 Aeruginosin C24H35N3O6 462.26041
Aeruginosin DA495B Aeruginosin C24H34ClN3O6 496.22089
Aeruginosin DA495A Aeruginosin C27H33N3O6 496.24421
Aeruginosin DA511 Aeruginosin C27H33N3O7 512.23913
Aeruginosin 205 A/B - SO3 - Xyl Aeruginosin C29H43N6O4Cl 575.31071
Aeruginosin 298A Aeruginosin C30H48N6O7 605.36572
Aeruginosin LH606 Aeruginosin C29H43ClN6O6 607.30054
Aeruginosin 98A - Sulfat Aeruginosin C29H46ClN6O6 609.31674
Microcin SF608 Aeruginosin C32H44N6O6 609.33951
Aeruginosin A Aeruginosin C34H44N6O5 617.34459
Aeruginosin 89A/B - Sulfat Aeruginosin C30H46ClN6O7 637.31165
Aeruginosin KY642 Aeruginosin C29H44Cl2N6O6 643.27722
Aeruginosin GE642 Aeruginosin C29H44Cl2N6O6 643.27722
Aeruginosin 101-SO3 Aeruginosin C29H45Cl2N6O6 643.27776
Aeruginosin DA642 Aeruginosin C32H44ClN6O6 643.30160
Aeruginosin TR642 Aeruginosin C32H46N6O8 643.34499
Aeruginosin LH650A Aeruginosin C31H47ClN6O7 651.32675
Aeruginosin LH650B Aeruginosin C31H47ClN6O7 651.32675
Aeruginosin 98-C - SO3 Aeruginosin C29H46N6O6Br 653.26622
Aeruginosin 102 A/B - SO3 Aeruginosin C33H45N6O8 653.32989
Aeruginosin 98B Aeruginosin C29H46N6O9S 655.31197
Aeruginosin 672 Aeruginosin C29H44ClN6O8S 672.27026
Aeruginosin KB676 Aeruginosin C37H52N6O6 677.40211
Aeruginosin 103-A Aeruginosin C35H48N6O8 681.36064
Aeruginosin GE686 Aeruginosin C29H44BrClN6O6 687.22670
Aeruginosin 102+Cl-SO3 Aeruginosin C33H44ClN6O8 687.29092
S 25 Aeruginosin 98A Aeruginosin C29H45ClN6O9S 689.27300
Aeruginosin DA688 Aeruginosin C29H45ClN6O9S 689.27300
Aeruginosin 89A/B Aeruginosin C30H44ClN6O10S 717.26792
Aeruginosin 101 Aeruginosin C29H44Cl2N6O9S 723.23403
Aeruginosin DA722 Aeruginosin C29H44Cl2N6O9S 723.23403
Aeruginosin 722 Aeruginosin C32H43ClN6O9S 723.25735
Aeruginosin 205 A/B - SO3 Aeruginosin C34H53N6O9Cl 725.36353
Aeruginosin GE730 Aeruginosin C29H44Br2N6O6 731.17618
Aeruginosin 98C Aeruginosin C29H45N6O9SBr 733.22249
Aeruginosin 102A/B Aeruginosin C33H44N6O11S 733.28615
Aeruginosin GE766 Aeruginosin C29H44BrClN6O9S 767.18351
Aeruginosin 205A Aeruginosin C34H53N6O12SCl 805.32035
Aeruginosin 205B Aeruginosin C34H53N6O12SCl 805.32035
Aeruginosin GE810 Aeruginosin C29H44Br2N6O9S 811.13300
Aeruginosin 828A Aeruginosin C36H53ClN6O12S 829.32035
Aeruginosin 596A Aeruginosin C34H52Cl2N6O13S 855.27629
Aeruginosin 596B Aeruginosin C34H52Cl2N6O13S 855.27629
Aeruginosin 865 Aeruginosin C41H64N6O14 865.45533
Anabaenopeptin I Anabaenopeptin C38H61N7O9 760.46035
Schizopeptin 791 Anabaenopeptin C42H61N7O8 791.45816
Anabaenopeptin J Anabaenopeptin C41H59N7O9 794.44470
Anabaenopeptin C Anabaenopeptin C41H60N8O9 809.45560
Anabaenopeptin 820 Anabaenopeptin C41H60N10O8 821.46684
Anabaenopeptin MM823 Anabaenopeptin C41H57N7O11 824.41888
Anabaenopeptin NZ825 Anabaenopeptin C45H59N7O8 826.44979
Anabaenopeptin D Anabaenopeptin C44H57N7O9 828.42905
Anabaenopeptin B Anabaenopeptin C41H60N10O9 837.46175
Anabaenopeptin NZ841 Anabaenopeptin C45H59N7O9 842.44470
Anabaenopeptin A Anabaenopeptin C44H57N7O10 844.42397
Anabaenopeptin E Anabaenopeptin C42H62N10O9 851.47740
Anabaenopeptin B1 Anabaenopeptin C42H62N10O9 851.47740
S 26 Anabaenopeptin F Anabaenopeptin C42H62N10O9 851.47740
Anabaenopeptin DA850 Anabaenopeptin C42H62N10O9 851.47740
Anabaenopeptin MM850 Anabaenopeptin C42H62N10O9 851.47740
Anabaenopeptin 856 Anabaenopeptin C46H61N7O9 856.46035
Oscillamide Y Anabaenopeptin C45H59N7O10 858.43962
Anabaenopeptin NZ857 Anabaenopeptin C45H59N7O10 858.43962
Mozamide A Anabaenopeptin C45H64N8O9 861.48690
Anabaenopeptin F1 Anabaenopeptin C43H64N10O9 865.49305
Anabaenopeptin T Anabaenopeptin C45H67N7O10 866.50222
Ferintoic acid A Anabaenopeptin C46H58N8O9 867.43995
Oscillamide B Anabaenopeptin C41H60N10O9S 869.43382
Anabaenopeptin 872 Anabaenopeptin C46H61N7O10 872.45527
Mozamide B Anabaenopeptin C46H66N8O9 875.50306
Ferintoic acid B Anabaenopeptin C47H60N8O9 881.45560
Anabaenopeptin HU892 Anabaenopeptin C45H68N10O9 893.52435
Anabaenopeptin KB899 Anabaenopeptin C48H65N7O10 900.48657
Anabaenopeptin KB906 Anabaenopeptin C46H70N10O9 907.54000
Anabaenopeptin 908 Anabaenopeptin C45H68N10O10 909.51927
Nodulapeptin B Anabaenopeptin C44H63N7O12S 914.43282
Anabaenopeptin MM913 Anabaenopeptin C49H67N7O10 914.50222
Anabaenopeptin 915 Anabaenopeptin C48H65N7O11 916.48148
Anabaenopeptin H Anabaenopeptin C46H70N10O10 923.53492
Nodulapeptin A Anabaenopeptin C44H63N7O13S 930.42773
Anabaenopeptin G Anabaenopeptin C49H67N7O11 930.49713
Oscillamide C Anabaenopeptin C49H68N10O10 957.51927
Cryptophycin 7 Cryptophycin C25H28ClNO6 474.16779
Cryptophycin 14 Cryptophycin C29H35ClN2O6 543.22564
Cryptophycin 12 Cryptophycin C29H35ClN2O7 559.22056
Cryptophycin 66 Cryptophycin C30H38ClN3O6 572.25219
Cryptophycin 6 Cryptophycin C30H37ClN2O7 573.23621
Cryptophycin 10 Cryptophycin C30H39ClN2O8 591.24677
S 27 Cryptophycin 43 Cryptophycin C34H42N2O7 591.30648
Cryptophycin 4 Cryptophycin C35H44N2O7 605.32213
Cryptophycin 24 Cryptophycin C34H42N2O8 607.30139
Cryptophycin 2 Cryptophycin C35H44N2O8 621.31704
Cryptophycin 17 Cryptophycin C34H41ClN2O7 625.26751
Cryptophycin 19 Cryptophycin C34H41ClN2O7 625.26751
Cryptophycin 28 Cryptophycin C34H41ClN2O7 625.26751
Cryptophycin 29 Cryptophycin C34H41ClN2O7 625.26751
Cryptophycin 49 Cryptophycin C34H41ClN2O7 625.26751
Cryptophycin 176 Cryptophycin C33H39ClN2O8 627.24677
Cryptophycin 18 Cryptophycin C35H43ClN2O7 639.28316
Cryptophycin 3 Cryptophycin C35H43N2O7Cl 639.28316
Cryptophycin 46 Cryptophycin C35H43ClN2O7 639.28316
Cryptophycin 16 Cryptophycin C34H41ClN2O8 641.26242
Cryptophycin 21 Cryptophycin C34H41ClN2O8 641.26242
Cryptophycin 40 Cryptophycin C34H41ClN2O8 641.26242
Cryptophycin 50 Cryptophycin C34H41ClN2O8 641.26242
Cryptophycin 29; 7b 8b-Epoxide Cryptophycin C34H41ClN2O8 641.26297
Cryptophycin 4; 6'-Chloro 7R* 8R*- Cryptophycin C34H41ClN2O8 641.26297 epoxide O-de-Me
Cryptophycin 51 Cryptophycin C36H45ClN2O7 653.29881
Cryptophycin 338 Cryptophycin C35H44ClN3O7 654.29405
Cryptophycin 337 Cryptophycin C35H44ClN3O7 654.29406
Cryptophycin 39 Cryptophycin C35H43ClN2O8 655.27807
Cryptophycin 77 Cryptophycin C35H43ClN2O8 655.27807
Cryptophycin 38 Cryptophycin C35H43ClN2O8 655.27807
Cryptophycin 1 Cryptophycin C35H43ClN2O8 655.27807
Cryptophycin 54 Cryptophycin C35H43ClN2O8 655.27807
Cryptophycin 327 Cryptophycin C35H43ClN2O8 655.27807
Cryptophycin 26 Cryptophycin C35H45ClN2O8 657.29372
Cryptophycin 30 Cryptophycin C35H45ClN2O8 657.29372
S 28 Cryptophycin 45 Cryptophycin C34H40Cl2N2O7 659.22798
Cryptophycin 292 Cryptophycin C36H45ClN2O8 669.29372
Cryptophycin 53 Cryptophycin C36H45ClN2O8 669.29372
Cryptophycin 52 Cryptophycin C36H45ClN2O8 669.29372
Cryptophycin 175 Cryptophycin C35H42Cl2N2O7 673.24419
Cryptophycin 15 Cryptophycin C35H45ClN2O9 673.28864
Cryptophycin 13 Cryptophycin C35H45ClN2O9 673.28864
Cryptophycin 23 Cryptophycin C34H40Cl2N2O8 675.22345
Cryptophycin 326 Cryptophycin C34H40Cl2N2O8 675.22345
Cryptophycin 63 Cryptophycin C34H42Cl2N2O8 677.23910
Cryptophycin 65 Cryptophycin C36H48ClN3O8 686.32027
Cryptophycin 9 Cryptophycin C36H47ClN2O9 687.30429
Cryptophycin 5 Cryptophycin C36H47ClN2O9 687.30429
Cryptophycin 31 Cryptophycin C35H42Cl2N2O8 689.23910
Cryptophycin 8 Cryptophycin C35H44Cl2N2O8 691.25475
Cryptophycin 296 Cryptophycin C36H46Cl2N2O8 705.27040
Cryptophycin 55 Cryptophycin C36H46Cl2N2O8 705.27040
Cryptophycin 25 Cryptophycin C35H44BrClN2O8 735.20423
Cryptophycin 309 Cryptophycin C38H49Cl2N3O9 762.29186
Micropeptin KT554 Cyanopeptolin C29H42N6O5 555.32895
Micropeptin KT608A/B Cyanopeptolin C32H44N6O6 609.33951
Micropeptin KT636 Cyanopeptolin C19H32N4O14S3 636.10717
Micropeptin KT650 Cyanopeptolin C34H46N6O7 651.35007
Tasipeptin B Cyanopeptolin C40H62N6O9 770.45783
Micropeptin MZ771 Cyanopeptolin C38H61N9O8 772.47159
Micropeptin MM836 Cyanopeptolin C43H60N6O11 837.43929
Planktopeptin BL843 Cyanopeptolin C41H61N7O12 843.43782
Micropeptin MZ925-SO3 (fragment) Cyanopeptolin C40H63N9O11 846.47198
Micropeptin MZ845 Cyanopeptolin C40H63N9O11 846.47198
Micropeptin MM850 Cyanopeptolin C44H62N6O11 851.45493
Micropeptin MZ859 Cyanopeptolin C41H65N9O11 860.48763
S 29 Tasipeptin A Cyanopeptolin C45H71N7O10 869.52624
Cyanopeptolin 880 Cyanopeptolin C45H64N6O12 881.46550
Micropeptin 88A Cyanopeptolin C44H65N7O12 884.47640
Micropeptin HU895A Cyanopeptolin C40H62ClN9O12 896.42792
Micropeptin HU895B Cyanopeptolin C40H62ClN9O12 896.42792
Micropeptin HU909 Cyanopeptolin C41H64ClN9O12 910.44357
Micropeptin SF909 Cyanopeptolin C45H63N7O13 910.45566
Micropeptin LH911A Cyanopeptolin C39H61N9O14S 912.41315
Micropeptin LH911B Cyanopeptolin C39H61N9O14S 912.41315
Micropeptin LH911C Cyanopeptolin C41H65N7O14S 912.43830
Micropeptin MM916 Cyanopeptolin C43H60N6O14S 917.39610
Somamide B Cyanopeptolin C46H62N8O12 919.45600
Nostopeptin BN920 Cyanopeptolin C46H64N8O12 921.47165
Micropeptin LH920 Cyanopeptolin C46H64N8O12 921.47165
Cyanopeptolin S Cyanopeptolin C40H63N9O14S 926.42879
Micropeptin MZ925 Cyanopeptolin C40H63N9O14S 926.42880
Micropeptin LH925 Cyanopeptolin C42H67N7O14S 926.45395
Nostopeptin B Cyanopeptolin C46H70N8O12 927.51860
Dolostatin 13 Cyanopeptolin C46H63N7O12 928.44269
Micropeptin KB928 Cyanopeptolin C44H68N10O12 929.50909
Cyanopeptolin B Cyanopeptolin C46H71N8O12H 929.53425
Micropeptin MM932 Cyanopeptolin C43H60N6O15S 933.39102
Micropeptin MZ1019 - SO3 Cyanopeptolin C41H65N9O14S 940.44445
Micropeptin MZ939A Cyanopeptolin C41H65N9O14S 940.44445
Micropeptin MZ939B Cyanopeptolin C41H65N9O14S 940.44445
Cyanopeptolin C Cyanopeptolin C47H73N8O12H 943.54990
Micropeptin SD944 Cyanopeptolin C46H72N8O13 945.52916
Cyanopeptolin 954 Cyanopeptolin C46H63N8O12Cl 955.43267
Nostopeptin A Cyanopeptolin C48H74N8O12 955.54990
Micropeptin KB956 Cyanopeptolin C46H72N10O12 957.54039
Cyanopeptolin A Cyanopeptolin C46H72N10O12 957.54039
S 30 Cyanopeptolin D Cyanopeptolin C48H76N8O12 957.56555
Micropeptin B Cyanopeptolin C47H74N8O13 959.54481
Micropeptin 90 Cyanopeptolin C42H59N9O15S 962.39241
Cyanopeptolin 960 Cyanopeptolin C45H64N6O15S 962.43014
Cyanopeptolin 963A Cyanopeptolin C49H69N7O13 964.50261
Micropeptin EI964 Cyanopeptolin C46H64N10O13 965.47271
Somamide A Cyanopeptolin C48H67N7O12S 966.46412
Micropeptin T20 Cyanopeptolin C46H59N6O15P 967.38488
Micropeptin KB970 Cyanopeptolin C47H74N10O12 971.55604
Anabaenopeptilide 90B Cyanopeptolin C45H61ClN8O14 973.40685
Micropeptin 973 Cyanopeptolin C41H64ClN9O14S 974.40547
Cyanopeptolin 973 Cyanopeptolin C46H72N10O13H 974.54313
Anabaenopeptilide 90A Cyanopeptolin C46H64N8O14 975.44342
Micropeptin 478A Cyanopeptolin C40H61ClN9O15S 976.38474
Micropeptin HU975 Cyanopeptolin C40H62ClN9O15S 976.38474
Micropeptin HM978 Cyanopeptolin C49H70N8O13 979.51351
Micropeptin MM978 Cyanopeptolin C49H70N8O13 979.51351
Micropeptin GH979 Cyanopeptolin C49H69N7O14 980.49753
Micropeptin SD979 Cyanopeptolin C49H69N7O14 980.49753
Scyptolin A Cyanopeptolin C45H69ClN8O14 981.46945
Micropeptin HA983 Cyanopeptolin C46H62ClN9O13 984.42284
Micropeptin KB984 Cyanopeptolin C48H76N10O12 985.57169
Micropeptin K139 Cyanopeptolin C47H74N10O13 987.55096
Cyanopeptolin 986 Cyanopeptolin C47H74N10O13 987.55147
Micropeptin A Cyanopeptolin C49H78N8O13 987.57611
Micropeptin HU989 Cyanopeptolin C41H64ClN9O15S 990.40039
Cyanopeptolin 992 Cyanopeptolin C48H68N10O13 993.50401
Micropeptin EI992 Cyanopeptolin C48H68N10O13 993.50401
Micropeptin KB992 Cyanopeptolin C50H72N8O13 993.52916
Micropeptin E Cyanopeptolin C50H71N7O14 994.51318
Micropeptin SF995 Cyanopeptolin C48H73N11O12 996.55129
S 31 Micropeptin KR998 Cyanopeptolin C51H66N8O13 999.48221
Micropeptin SD999 Cyanopeptolin C47H73N11O13 1000.54621
Micropeptin SD1002 Cyanopeptolin C51H70N8O13 1003.51351
Micropeptin KR1002 Cyanopeptolin C51H70N8O13 1003.51351
Cyanopeptolin SS Cyanopeptolin C40H63N9O17S2 1006.38562
Cyanopeptolin 1007 Cyanopeptolin C49H70N10O13 1007.51966
Micropeptin DR1006 Cyanopeptolin C51H74N8O13 1007.54481
Cyanopeptolin 1009 Cyanopeptolin C43H60ClN9O15S 1010.36909
Cl-Cyanopeptolin W Cyanopeptolin C47H65ClN10O13 1013.44939
Micropeptin T2 Cyanopeptolin C52H74N9O12 1016.54515
Micropeptin MZ1019 Cyanopeptolin C41H65N9O17S2 1020.40126
Micropeptin MZ1019 Cyanopeptolin C41H65N9O17S2 1020.40127
Cyanopeptolin 1020 Cyanopeptolin C50H72N10O13 1021.53531
Micropeptin HU1021 Cyanopeptolin C40H63N9O18S2 1022.38052
Micropeptin LH1021 Cyanopeptolin C50H71N9O14 1022.51933
Micropeptin F Cyanopeptolin C52H75N7O14 1022.54448
Aeruginopeptin 917SC Cyanopeptolin C51H74N8O14 1023.53973
Micropeptin C Cyanopeptolin C53H69N7O14 1028.49753
Micropeptin KR1030 Cyanopeptolin C53H74N8O13 1031.54481
Oscillapeptilide 97B Cyanopeptolin C52H73N9O13 1032.54006
Cyanopeptolin CB071 Cyanopeptolin C48H75ClN10O13 1035.52764
Cyanopeptolin 1034A/B Cyanopeptolin C51H74N10O13H 1036.55878
Cyanopeptolin 1040 Cyanopeptolin C51H73ClN8O13 1041.50584
Micropeptin HU1041 Cyanopeptolin C39H60ClN9O18S2 1042.32590
A90720A Cyanopeptolin C45H73N10O16S 1042.49995
Micropeptin KT1042 Cyanopeptolin C53H70N8O14 1043.50843
Aeruginopeptin 228A Cyanopeptolin C52H68N8O15 1045.48769
Micropeptin 103 Cyanopeptolin C52H72N10O13 1045.53531
Oscillapeptilide 97A Cyanopeptolin C53H75N9O13 1046.55571
Micropeptin KB1046 Cyanopeptolin C53H74N8O14 1047.53973
Aeruginopeptin 228B Cyanopeptolin C52H72N8O15 1049.51899
S 32 Micropeptin KB1048 Cyanopeptolin C49H77ClN10O13 1049.54329
Cyanopeptolin 1048 Cyanopeptolin C52H76N10O13 1049.56661
Micropeptin LH1048 Cyanopeptolin C52H76N10O13 1049.56661
Symplostatin 2 Cyanopeptolin C52H74N8O13S 1050.50961
Anabaenopeptilide 202A Cyanopeptolin C51H71N9O15 1050.51424
Micropeptin T1 Cyanopeptolin C55H71N8O13 1051.51351
Cyanopeptolin 1054 MB1 Cyanopeptolin C50H71ClN10O13 1055.49634
Cyanopeptolin 1054 MB2 Cyanopeptolin C52H75ClN8O13 1055.52149
Micropeptin 478B Cyanopeptolin C40H61ClN9O18S2 1056.34155
Micropeptin D Cyanopeptolin C55H73N7O14 1056.52883
Micropeptin DR1056 Cyanopeptolin C54H72N8O14 1057.52408
Micropeptin TR1058 Cyanopeptolin C53H70N8O15 1059.50334
Micropeptin DR1060 Cyanopeptolin C54H76N8O14 1061.55538
Planktopeptin BL1061 Cyanopeptolin C50H79N9NaO16 1061.56448
Oscillapeptin C Cyanopeptolin C55H79N7O14 1062.57578
Micropeptin 88N Cyanopeptolin C54H78N8O14 1063.57103
Micropeptin 88E Cyanopeptolin C54H78N8O14 1063.57103
Micropeptin LH1062 Cyanopeptolin C53H78N10O13 1063.58226
Cyanopeptolin 1068 Cyanopeptolin C53H77ClN8O13 1069.53714
Micropeptin HU1069 Cyanopeptolin C41H64ClN9O18S2 1070.35720
Anabaenopeptilide 202B Cyanopeptolin C50H68ClN9O15 1070.45962
Aeruginopeptin 917SA Cyanopeptolin C54H72N8O15 1073.51899
Microcystilide A Cyanopeptolin C54H72N8O15 1073.51899
Hofmannolin Cyanopeptolin C54H71N7O16 1074.50301
Aeruginopeptin 917SB Cyanopeptolin C54H76N8O15 1077.55029
Micropeptin 88B Cyanopeptolin C53H73N8O16 1078.52173
Micropeptin 88Y Cyanopeptolin C55H72N8O15 1085.51899
Oscillapeptin F Cyanopeptolin C51H76N8O16S 1089.51728
Oscillapeptin J Cyanopeptolin C47H68N10O18S 1093.45150
Micropeptin 1106 Cyanopeptolin C54H79N11O14 1106.58807
Oscillapeptin G Cyanopeptolin C53H77N9O17 1112.55102
S 33 Micropeptin 88C Cyanopeptolin C57H76N8O15 1113.55029
Nostocyclin Cyanopeptolin C56H76N8O16 1117.54520
Micropeptin 88D Cyanopeptolin C57H80N8O15 1117.58159
Micropeptin 1120 Cyanopeptolin C55H81N11O14 1120.60372
Scyptolin B Cyanopeptolin C52H80ClN9O16 1122.54843
Planktopeptin BL1125 Cyanopeptolin C54H79N9O17 1125.55939
Micropeptin 88F Cyanopeptolin C58H78N8O15 1127.56594
Oscillapeptin D Cyanopeptolin C54H77N7O17S 1128.51694
Oscillapeptin E Cyanopeptolin C55H75N7O17S 1138.50129
Aerugininopeptin 95A Cyanopeptolin C56H75N9O17 1146.53537
Aeruginopeptin 95B Cyanopeptolin C56H79N9O17 1150.56667
Oscillapeptin A Cyanopeptolin C56H77N7O18S 1168.51186
Oscillapeptin B Cyanopeptolin C57H79N7O18S 1182.52751
Aerucyclamide C Cyclamide C24H32N6O5S 517.22276
AerucyclamideC_Thiazoline Cyclamide C24H34N6O5S 519.23842
Banyascyclamide B Cyclamide C22H30N6O5S2 523.17919
Aerucyclamide B Cyclamide C24H32N6O4S2 533.19992
Aerucyclamide A Cyclamide C24H34N6O4S2 535.21557
Banyascyclamide A Cyclamide C25H26N6O4S2 539.15297
Raocyclamide A Cyclamide C27H30N6O5S 550.19984
Banyascyclamide C Cyclamide C25H28N6O5S2 557.16354
Raocyclamide B Cyclamide C27H32N6O6S 568.21040
Aerucyclamide D Cyclamide C26H30N6O4S3 587.15634
Obyanamide Cyclamide C30H41N5O6S 600.28503
Ulongamide F Cyclamide C30H49N5O6S 608.34763
Aerucyclamide D - SO2 Cyclamide C26H30N6O6S3 619.14617
Ulongamide A Cyclamide C32H45N5O6S 628.31633
Ulongamide B Cyclamide C32H45N5O7S 644.31125
Ulongamide D Cyclamide C34H49N5O7S 672.34255
Ulongamide E Cyclamide C35H51N5O7S 687.36602
Ulongamide C Cyclamide C36H45N5O7S 692.31125
S 34 Planktocyclin Cyclamide C39H60N8O8S 800.42548
Dolastatin 10 Cyclic C42H69N6O6S 786.50721 deoxy-Majusculamide D Cyclic C43H65N5O9 796.48551
Majusculamide D Cyclic C43H65N5O10 812.48042
Mirabimide B Microcolin C32H54N4O7 607.40653
Mirabimide C Microcolin C33H56N4O7 607.40653
Mirabimide A Microcolin C33H56N4O7 621.42218
Mirabimide D Microcolin C34H56N4O8 649.41709
Microcolin B Microcolin C39H65N5O8 732.49059
Microcolin A Microcolin C39H65N5O9 748.48551
[Asp3 Ser7]MC-mEmE Microcystin C48H67N7O8 870.51239
[Dha7]MC-EmE Microcystin C48H67N7O8 870.51239
[D‐Asp3, DMAdda5]MC‐LA Microcystin C44H63N7O12 882.46130
[D‐Asp3]MC‐VA Microcystin C44H63N7O12 882.46130
[D-Asp3] MC-LA Microcystin C45H65N7O12 896.47640
[Dha7] MC-LA Microcystin C45H65N7O12 896.47640
[DMAdda5]MC‐LA Microcystin C45H65N7O12 896.47695
MC‐VA Microcystin C45H65N7O12 896.47695
[Dha7]MC-LAbu Microcystin C46H67N7O12 910.49205
MC-LA Microcystin C46H67N7O12 910.49205
[Dha7]MC-LV Microcystin C47H69N7O12 924.50770
[d-Asp3]MC-LV Microcystin C47H69N7O12 924.50770
MC-LBu Microcystin C47H69N7O12 924.50770
MC-LAba Microcystin C47H69N7O12 924.50770
[D‐Asp3, D‐Glu(OMe)6]MC‐LAba Microcystin C47H69N7O12 924.50825
[Asp3]MC-FA Microcystin C48H63N7O12 930.46075
[Asp3, Dha7]MC‐YA Microcystin C47H61N7O13 932.44056
[Dha7]MC-LL Microcystin C48H71N7O12 938.52335
[d-Asp3]MC-LL Microcystin C48H71N7O12 938.52335
MC-LV Microcystin C48H71N7O12 938.52335
S 35 [Asp3]MC-RA Microcystin C45H66N10O12 939.49345
[Dha7]MC-FAba Microcystin C49H65N7O12 944.47640
[d-Asp3]MC-FAba Microcystin C49H65N7O12 944.47640
MC-FA Microcystin C49H65N7O12 944.47640
[Mdha3] MC-LR Microcystin C48H72N10O10 949.55057
MC-LL Microcystin C49H73N7O12 952.53900
[d-Asp3]MC-LAbu Microcystin C46H68N10O12 953.50909
MC-AR Microcystin C46H68N10O12 953.50909
[Asp3]MC-RAba Microcystin C46H68N10O12 953.50910
MC-RA Microcystin C46H68N10O12 953.50910
[Dha7]MC-LM Microcystin C47H69N7O12S 956.47977
[d-Asp3]MC-LM Microcystin C47H69N7O12S 956.47977
MC-FAba Microcystin C50H67N7O12 958.49205
MC-YA Microcystin C49H65N7O13 960.47131
[d-Asp3 Dha7]MC-LR Microcystin C47H70N10O12 967.52474
MC-RAba Microcystin C47H70N10O12 967.52475
MC‐AHar Microcystin C47H70N10O12 967.52529
[D‐Asp3, DMAdda5]MC‐LR Microcystin C47H70N10O12 967.52529
[Asp3, DMAdda5, Dhb7]MC‐LR Microcystin C47H70N10O12 967.52529
[Gly1, Asp3, Dhb7]MC‐LR Microcystin C47H70N10O12 967.52529
[Asp3]MC-HarAba Microcystin C47H70N10O12 967.52529
[Dha7]MC-WA Microcystin C50H64N8O12 969.47165
[Asp3]MC-WA Microcystin C50H64N8O12 969.47165
[D-Asp3, Dha7]MC-EE(OMe) Microcystin C46H63N7O16 970.44041
MC-LM Microcystin C48H71N7O12S 970.49542
MC-VF Microcystin C51H69N7O12 971.50042
[Dha7]MC-LF Microcystin C51H69N7O12 972.50770
[Asp3]MC-LF Microcystin C51H69N7O12 972.50770
MC‐VF Microcystin C51H69N7O12 972.50825
MC-YAba Microcystin C50H67N7O13 974.48696
S 36 [Asp3, Dha7]MC‐LY Microcystin C50H67N7O13 974.48751
[D-Asp3, (E)-Dhb7]MC-LR Microcystin C48H72N10O12 981.54039
[d-Asp3 Dha7]MC-HilR Microcystin C48H72N10O12 981.54039
[Asp3]MC-LR Microcystin C48H72N10O12 981.54039
[Dha7]MC-LR Microcystin C48H72N10O12 981.54039
[dmAdda5]MC-LR Microcystin C48H72N10O12 981.54039
[D‐Asp3, (Z)‐Dhb7]MC‐LR Microcystin C48H72N10O12 981.54094
[Gly1, Asp3, Dhb7]MC‐LHar Microcystin C48H72N10O12 981.54094
MC‐RApa Microcystin C48H72N10O12 981.54094
MC-WA Microcystin C51H66N8O12 983.48730
MC-WA Microcystin C51H66N8O12 983.48730
[Ser1, D‐Asp3, Dha7]MC‐LR Microcystin C47H70N10O13 983.52021
[d-Asp3 MAla7]MC-LR Microcystin C48H74N10O12 983.55604
[Dha7]MC-EE(OMe) Microcystin C47H65N7O16 984.45606
[D-Asp3, Dha7]MC-E(OMe)E(OMe) Microcystin C47H65N7O16 984.45606
[d-Asp3 Dha7]MC-MR Microcystin C46H68N10O12S 985.48116
[d-Asp3 l-Ser7]MC-LR Microcystin C47H72N10O13 985.53531
MC-LF Microcystin C52H71N7O12 986.52335
MC-FL Microcystin C52H71N7O12 986.52335
MC‐KynA (oxidized W) Microcystin C50H66N8O13 987.48276
[d-Asp3 l-Ser7]MC-EE(OMe) Microcystin C46H65N7O17 988.45097
[Asp3]MC‐LY Microcystin C51H69N7O13 988.50316
[Asp3, Dhb7]MC‐LY Microcystin C51H69N7O13 988.50316
[d-Asp3 Dha7]MC-YM Microcystin C49H65N7O13S 992.44338
[d-Asp3 ADMAdda5 Dha7] MC-LR Microcystin C48H70N10O13 995.51966
[Gly1, Asp3, ADMAdda5, Dhb7]MC‐LR Microcystin C48H70N10O13 995.52021
[D‐Asp3, ADMAdda5]MC‐VR Microcystin C48H70N10O13 995.52021
MC-LR Microcystin C49H74N10O12 995.55604
[6(Z)-Adda5]MC-LR Microcystin C49H74N10O12 995.55604
[d-Asp3]MC-HilR Microcystin C49H74N10O12 995.55604
S 37 [Dha7]MC-HilR Microcystin C49H74N10O12 995.55604
(E)-[Dhb7]MC-HilR Microcystin C49H74N10O12 995.55604
[Dha7]MC-LHar Microcystin C49H74N10O12 995.55604
[d-Asp3]MC-LHar Microcystin C49H74N10O12 995.55604
[D‐Asp3, D‐MeO-Glu6]MC‐LR Microcystin C49H74N10O12 995.55605
[Asp3, Dhb7]MC‐AhaR Microcystin C49H74N10O12 995.55659
[DMAdda5]MC‐HilR Microcystin C49H74N10O12 995.55659
[DMAdda5]MC‐LHar Microcystin C49H74N10O12 995.55659
MC‐RL Microcystin C49H74N10O12 995.55659
[d-Asp3 Dha7]MC-LW Microcystin C52H68N8O12 997.50295
MC-WAba Microcystin C52H68N8O12 997.50295
[MAla 7]MC-LR Microcystin C49H76N10O12 997.57169 dihydroMC-LR Microcystin C49H76N10O12 997.57169
[Dha7]MC-E(OMe)E(OMe) Microcystin C48H67N7O16 998.47171
MC‐OiaA (oxidised W) Microcystin C51H66N8O13 999.48276
[d-Asp3]MC-MR Microcystin C47H70N10O12S 999.49681
[Dha7]MC-MR Microcystin C47H70N10O12S 999.49681
[l-Ser7]MC-LR Microcystin C48H74N10O13 999.55096
[seco‐4/5][Asp3]MC‐LR Microcystin C48H74N10O13 999.55151
[Asp3, MeSer7]MC‐LR Microcystin C48H74N10O13 999.55151
MC‐LHph Microcystin C53H73N7O12 1000.53955
MC‐KynAba Microcystin C51H68N8O13 1001.49786
[D‐Asp3, Dha7]MC‐FR Microcystin C50H68N10O12 1001.50964
[L-Ser7]MC-EE(OMe) Microcystin C47H67N7O17 1002.46662
[D-Asp3, Ser7]MC-E(OMe)E(OMe) Microcystin C47H67N7O17 1002.46662
MC-LY Microcystin C52H71N7O13 1002.51826
[Asp3]MC‐HilY Microcystin C52H71N7O13 1002.51881
MC‐YL Microcystin C52H71N7O13 1002.51881
[d-Asp3]MC-YM Microcystin C50H67N7O13S 1006.45903
[Dha7]MC-YM Microcystin C50H67N7O13S 1006.45903
S 38 [Asp3, MSer7]MC‐LY Microcystin C51H71N7O14 1006.51373
[d-Asp3 ADMAdda5]MC- LR Microcystin C49H72N10O13 1009.53531
[ADMAdda5 Dha7]MC-LR Microcystin C49H72N10O13 1009.53531
[D‐Asp3, ADMAdda5, Dha7]MC‐HilR Microcystin C49H72N10O13 1009.53586
[Gly1, Asp3, ADMAdda5, Dhb7] MC‐ Microcystin C49H72N10O13 1009.53586 LHar
[Asp3, ADMAdda5, Dhb7]MC‐LR Microcystin C49H72N10O13 1009.53586
[D‐Glu(OCH3)6]MC‐LR Microcystin C50H76N10O12 1009.57169
[Mdhb7] MC-LR Microcystin C50H76N10O12 1009.57169
MC-HilR Microcystin C50H76N10O12 1009.57169
MC-LHar Microcystin C50H76N10O12 1009.57169
[Dhb7]MC-LHar Microcystin C50H76N10O12 1009.57169
[D-MeO-Glu6]MC-LR Microcystin C50H76N10O12 1009.57170
[MeAla1]MC‐LR Microcystin C50H76N10O12 1009.57224
[Leu1, Asp3, DMAdda5]MC‐LR Microcystin C50H76N10O12 1009.57224
[d-Asp3 Dha7]MC-RR Microcystin C47H71N13O12 1010.54179
[Asp3, DMAdda5,]MC‐RR Microcystin C47H71N13O12 1010.54234
[Gly1, Asp3, Dhb7]MC‐RR Microcystin C47H71N13O12 1010.54234
[d-Asp3]MC-LW Microcystin C53H70N8O12 1011.51860
[Asp3, (E)-Dhb7]MC-LW Microcystin C53H70N8O12 1011.51860
MC‐OiaAba (oxidised W) Microcystin C52H68N8O13 1013.49786
MC-MR Microcystin C48H72N10O12S 1013.51246
[d-Asp3 MSer7]MC-HilR Microcystin C49H76N10O13 1013.56661
[Ser7]MC-HilR Microcystin C49H76N10O13 1013.56661
[Ser7]MC-LHar Microcystin C49H76N10O13 1013.56661
[MSer7]MC-LR Microcystin C49H76N10O13 1013.56661
[mGlu6 Ser7]MC-LR Microcystin C49H76N10O13 1013.56661
[d-Asp3 MSer7]MC-HilR Microcystin C49H76N10O13 1013.56661
[Ser7]MC-HilR Microcystin C49H76N10O13 1013.56661
[Ser7]MC-LHar Microcystin C49H76N10O13 1013.56661
S 39 Acyclo‐LR: Adda‐D‐Glu(γ)‐Mdha‐D‐Ala‐ Microcystin C49H76N10O13 1013.56716 L‐Leu‐D‐MeAsp(β)‐L‐Arg‐OH
L‐Leu‐D‐MeAsp(β)‐L‐Arg‐Adda‐D‐ Microcystin C49H76N10O13 1013.56716 Glu(γ)‐Mdha‐D‐Ala‐OH
MC‐NfkA (oxidised W) Microcystin C51H66N8O14 1015.47767
[Asp3]MC‐M(O)R (oxidation artefact) Microcystin C47H70N10O13S 1015.49228
[d-Asp3] MC-FR Microcystin C51H70N10O12 1015.52474
[Dha7]MC-FR Microcystin C51H70N10O12 1015.52474
[D‐Asp3, Dha7]MC‐HphR Microcystin C51H70N10O12 1015.52529
[DMAdda5]MC‐FR Microcystin C51H70N10O12 1015.52529
[Asp3]MC‐RF Microcystin C51H70N10O12 1015.52529
[L-Ser7]MC-E(OMe)E(OMe) Microcystin C48H69N7O17 1016.48227
MC‐LHty Microcystin C53H73N7O13 1016.53446
[Asp3, Dha7]MC‐RY Microcystin C50H68N10O13 1017.50456
[Asp3, DMAdda5]MC‐RY Microcystin C50H68N10O13 1017.50456
MC-YM Microcystin C51H69N7O13S 1020.47468
[Dha7] MC-YM(O) Microcystin C50H67N7O14S 1022.45395
[d-Asp3] MC-YM(O) Microcystin C50H67N7O14S 1022.45395
[d-Asp3 ADMAdda5]MC-LHar Microcystin C50H74N10O13 1023.55096
[ADMAdda5]MC-LR Microcystin C50H74N10O13 1023.55096
[Leu1, Asp3]MC‐LR Microcystin C51H78N10O12 1023.58789
[Leu1, Dha7]MC‐LR Microcystin C51H78N10O12 1023.58789
[Val1]MC‐LR Microcystin C51H78N10O12 1023.58789
[d-Asp3]MC-RR Microcystin C48H73N13O12 1024.55744
[D-Asp3, (E)-Dhb7]MC-RR Microcystin C48H73N13O12 1024.55744
[Dha7]MC-RR Microcystin C48H73N13O12 1024.55744
[Gly1, Asp3, Dhb7]MC‐RHar Microcystin C48H73N13O12 1024.55799
MC-LW Microcystin C54H72N8O12 1025.53425
MC‐WL Microcystin C54H72N8O12 1025.53425
[MSer7]MC-HilR Microcystin C50H78N10O13 1027.58226
S 40 H‐L‐Hil‐MeAsp‐L‐Arg‐Adda‐D‐Glu‐ Microcystin C50H78N10O13 1027.58281 Mdha‐D‐Ala‐OH
MC‐NfkAba (oxidised W) Microcystin C52H68N8O14 1029.49278
MC-M(O)R Microcystin C48H72N10O13S 1029.50738
Monochloro-MC-LR Microcystin C49H73ClN10O12 1029.51707
[d-Asp3]MC-HphR Microcystin C52H72N10O12 1029.54039
[Dha7]MC-HphR Microcystin C52H72N10O12 1029.54039
MC-FR Microcystin C52H72N10O12 1029.54039
MC‐FR Microcystin C52H72N10O12 1029.54094
[Asp3]MC‐HphR Microcystin C52H72N10O12 1029.54094
Dihydroxy-MC-LR Microcystin C49H76N10O14 1029.56152
[Asp3]MC‐M(O2)R (oxidation artefact) Microcystin C47H70N10O14S 1031.48719
[d-Asp3 Dha7]MC-HtyR Microcystin C51H70N10O13 1031.51966
[d-Asp3]MC-YR Microcystin C51H70N10O13 1031.51966
[Dha7]MC-YR Microcystin C51H70N10O13 1031.51966
[dmAdda5]MC-YR Microcystin C51H70N10O13 1031.51966
[Asp3, DMAdda5]MC‐HtyR Microcystin C51H70N10O13 1031.52021
[Asp3]MC‐RY Microcystin C51H70N10O13 1031.52021
[Dha7]MC‐RY Microcystin C51H70N10O13 1031.52021
[Asp3, Dhb7]MC‐RY Microcystin C51H70N10O13 1031.52021
[Asp3, (E)‐Dhb7]MC‐YR Microcystin C51H70N10O13 1031.52021
MC‐LY(OMe) Microcystin C53H73N7O14 1032.52883
[Dha7] MC-(H4)YR Microcystin C51H74N10O13 1035.55096
[Asp3]MC(H4)YR Microcystin C51H74N10O13 1035.55096
[DMAdda5]MC‐(H4)YR Microcystin C51H74N10O13 1035.55151
MC-YM(O) Microcystin C51H69N7O14S 1036.46960
[ADMAdda]MC-LHar Microcystin C51H76N10O13 1037.56661
[ADMAdda5]MC‐HilR Microcystin C51H76N10O13 1037.56716
[d-Leu1]MC-LR Microcystin C52H80N10O12 1037.60299
MC‐AnaR Microcystin C52H80N10O12 1037.60354
S 41 [Asp3]MC‐YY Microcystin C54H67N7O14 1038.48243
[Gly1, Asp3, ADMAdda5, Dhb7]MC‐RR Microcystin C48H71N13O13 1038.53725
[d-Asp3 D-Glu(OCH3)6]MC-RR Microcystin C49H75N13O12 1038.57309
[d-Asp3 MSer7]MC-RR Microcystin C49H75N13O12 1038.57309
MC-RR Microcystin C49H75N13O12 1038.57309
[6(Z)- Adda5]MC-RR Microcystin C49H75N13O12 1038.57309
[d-Ser1- ADMAdda5]MC-LR Microcystin C50H74N10O14 1039.54587
[Met1, Asp3]MC‐LR Microcystin C50H76N10O12S 1041.54431
[ADMAdda5 MSer7]MC-LR Microcystin C50H76N10O14 1041.56152
[ADMAdda5, MeSer7]MC‐LR Microcystin C50H76N10O14 1041.56207
Glu(OCH3)6]MC-FR] Microcystin C53H73N10O12 1042.54877
[d-Asp3 MSer7]MC-RR Microcystin C48H75N13O13 1042.56801
[l-Ser7]MC- RR Microcystin C48H75N13O13 1042.56801 seco[d-Asp3]MC-RR Microcystin C48H75N13O13 1042.56801
[Asp3, Thr7]MC‐RR Microcystin C48H75N13O13 1042.56856
MC‐HphR Microcystin C53H74N10O12 1043.55659
MC‐M(O2)R (oxidation artefact) Microcystin C48H72N10O14S 1045.50284
MC-YR Microcystin C52H72N10O13 1045.53531
[D-Asp3, (E)-Dhb7]MC-HtyR Microcystin C52H72N10O13 1045.53531
[d-Asp3]MC-HtyR Microcystin C52H72N10O13 1045.53531
[Dha7]MC-HtyR Microcystin C52H72N10O13 1045.53531
[D-Asp3, (E)-Dhb7]MC-HtyR Microcystin C52H72N10O13 1045.53531
[D‐Asp3, (Z)‐Dhb7]MC‐HtyR Microcystin C52H72N10O13 1045.53586
MC‐RY Microcystin C52H72N10O13 1045.53586
Monochloro-hydroxy-MC-LR Microcystin C49H75ClN10O13 1047.52764
L‐Phe‐D‐MeAsp(β)‐L‐Arg‐Adda‐D‐ Microcystin C52H74N10O13 1047.55151 Glu(γ)‐Mdha‐D‐Ala‐OH
MC‐HphHph Microcystin C57H73N7O12 1048.53955
[D‐Asp3, L‐Ser7]MC‐HtyR Microcystin C51H72N10O14 1049.53077
[Asp3, MSer7]MC‐RY Microcystin C51H72N10O14 1049.53077
S 42 [Ser7]MC‐YR Microcystin C51H72N10O14 1049.53077
MC-(H4)YR Microcystin C52H76N10O13 1049.56661
[ADMAdda5]MC‐HilHar Microcystin C52H78N10O13 1051.58281
[Leu1, Asp3, ADMAdda5]MC‐LR Microcystin C52H78N10O13 1051.58281
[Leu1]MC‐HilR Microcystin C53H82N10O12 1051.61919
[Leu1]MC‐LHar Microcystin C53H82N10O12 1051.61919
[Leu1,Glu(OMe)6]MC‐LR Microcystin C53H82N10O12 1051.61919
[D‐Asp3, (E)‐Dhb7]MC‐HtyY Microcystin C55H69N7O14 1052.49808
MC‐YY Microcystin C55H69N7O14 1052.49808
[d-Asp3 ADMAdda5 Dhb7]MC-RR Microcystin C49H73N13O13 1052.55236
[Asp3 dmAdda5]MC-RR Microcystin C49H73N13O13 1052.55236
[Gly1, Asp3, ADMAdda5, Dhb7]MC‐ Microcystin C49H73N13O13 1052.55291 RHar
[d-Glu-OC2H3(CH3)OH6]MC-LR Microcystin C52H80N10O13 1053.59791
[Dha7]MC-WR Microcystin C53H71N11O12 1054.53564
[d-Asp3]MC-WR Microcystin C53H71N11O12 1054.53564
[DMAdda5]MC‐WR Microcystin C53H71N11O12 1054.53619
[Met1]MC‐LR Microcystin C51H78N10O12S 1055.55996
[Leu1, NMeSer7]MC‐LR Microcystin C52H82N10O13 1055.61411
[ADMAdda5]MC‐FR Microcystin C53H72N10O13 1057.53586
[D‐Glu(OMe)6]MC‐YR Microcystin C53H74N10O13 1059.55151
MC-HtyR Microcystin C53H74N10O13 1059.55200
[Asp3 MGlu6] MC-HtyR Microcystin C53H74N10O13 1059.55200
[Ser1, Asp3]MC‐HtyR Microcystin C52H72N10O14 1061.53077
[D‐Asp3]MC‐Y(OMe)R Microcystin C52H72N10O14 1061.53077
[DMAdda5]MC‐Y(OMe)R Microcystin C52H72N10O14 1061.53077
Monochloro-dihydroxy-MC-LR Microcystin C49H75ClN10O14 1063.52255
[l-Ser7]MC-HtyR Microcystin C52H74N10O14 1063.54587
[Asp3 MSer7]MC-HtyR Microcystin C52H74N10O14 1063.54587
[seco‐4/5][Asp3]MC‐HtyR Microcystin C52H74N10O14 1063.54642
S 43 [D‐Asp3, ADMAdda5]MC‐(H4)YR Microcystin C52H74N10O14 1063.54642
[MeSer7]MC‐RY Microcystin C52H74N10O14 1063.54642
[Asp3, MeSer7]MC‐YHar Microcystin C52H74N10O14 1063.54642
[MeSer7]MC‐YR Microcystin C52H74N10O14 1063.54642
[NMeSer7]MC‐YR Microcystin C52H74N10O14 1063.54642
MC‐HphHty Microcystin C57H73N7O13 1064.53446
[Leu1, ADMAdda5]MC‐LR Microcystin C53H79N10O13 1064.59063
[Leu1, Glu(OMe)6]MC‐HilR Microcystin C54H84N10O12 1065.63484
[D‐Asp3, (E)‐Dhb7]MC‐HtyHty Microcystin C56H71N7O14 1066.51373
[ADMAdda]MC-RR Microcystin C50H75N13O13 1066.56801
MC-HarHar Microcystin C51H79N13O12 1066.60439
[Leu1, Asp3]MC‐RR Microcystin C51H79N13O12 1066.60494
MC-WR Microcystin C54H73N11O12 1068.55129
[Leu1, Glu(OMe)6, NMeSer7]MC‐LR Microcystin C53H84N10O13 1069.62976
[M(O)1]MC‐LR Microcystin C51H78N10O13S 1071.55488
[Leu1, Asp3]MC‐HphR Microcystin C55H78N10O12 1071.58789
[Phe1]MC‐LR Microcystin C55H78N10O12 1071.58789
MC‐KynR (oxidised W) Microcystin C53H73N11O13 1072.54621
[d-Asp3 ADMAdda5]MC-HtyR Microcystin C53H72N10O14 1073.53022
[d-Asp3 ADMAdda5 Dhb7]MC-HtyR Microcystin C53H72N10O14 1073.53022
[ADMAdda5]MC‐YR Microcystin C53H72N10O14 1073.53077
MC‐MhtyR Microcystin C54H76N10O13 1073.56716
[Asp3, (E)‐Dhb7]MC‐HtyW Microcystin C57H70N8O13 1075.51406
MC‐RY(OMe) Microcystin C53H74N10O14 1075.54642
[Asp3]MC‐Hty(OMe)R Microcystin C53H74N10O14 1075.54642
MC‐Y(OMe)R Microcystin C53H74N10O14 1075.54642
[seco‐4/5]MC‐HtyR Microcystin C53H76N10O14 1077.56207
[ADMAdda5]MC‐(H4)YR Microcystin C53H76N10O14 1077.56207
[MSer7]MC‐HtyR Microcystin C53H76N10O14 1077.56207
[Leu1, ADMAdda5]MC‐LHar Microcystin C54H82N10O13 1079.61411
S 44 [ADMAdda5]MC‐RHar Microcystin C51H77N13O13 1080.58421
[Leu1]MC‐RR Microcystin C52H81N13O12 1080.62059
MC‐OiaR (oxidised W) Microcystin C54H73N11O13 1084.54621
[M(O)1, Glu(OMe)6]MC‐LR Microcystin C52H80N10O13S 1085.57053
[Leu1]MC‐HphR Microcystin C56H80N10O12 1085.60354
[ADMAdda5]MC‐(H4)YHar Microcystin C54H78N10O14 1091.57772
Dichloro-dihydroxy-MC-LR Microcystin C49H74N10O14Cl2 1097.48358
MC‐NfkR (oxidised W) Microcystin C54H73N11O14 1100.54113
[Leu1]MC‐HtyrR Microcystin C56H80N10O13 1101.59846
Trichloro-hydroxy-MC-LR Microcystin C49H73N10O13Cl3 1115.44969
[l-MLan7]MC-LR Microcystin C52H81N11O14S 1116.57579
MC-LR-cysteine Microcystin C52H81N11O14S 1116.57580
[L‐MeLan7]MC‐LR Microcystin C52H81N11O14S 1116.57634
MC-RR-Cys Microcystin C52H82N14O14S 1159.59284
MC-YR-Cys Microcystin C55H79N11O15S 1166.55506
MC-LR-gamma-glutamylcystein Microcystin C57H88N12O17S 1245.61839
MC-LR glutathione Microcystin C59H91N13O18S 1302.63986
MC-RR-GSH Microcystin C59H92N16O18S 1345.65690
MC-YR-GSH Microcystin C62H89N13O19S 1352.61912
Microginin 511 Microginin C25H41N3O6S 512.27888
Microginin 527 Microginin C25H41N3O7S 528.27380
Microginin 527 methyl ester Microginin C26H43N3O7S 542.28945
Microginin 91A Microginin C28H52N4O6Cl 576.36481
Nostoginin BN578 Microginin C30H51N4O7 580.38305
Oscillaginin B Microginin C29H48N4O8 581.35449
Microginin AL584 Microginin C28H45ClN4O7 585.30495
Microginin KR604 Microginin C32H52N4O7 605.39088
Microginin 91B Microginin C28H51N4O6Cl2 610.32584
Microginin 612 Microginin C32H44N4O8 613.32319
Oscillaginin A Microginin C29H47ClN4O8 615.31552
S 45 Microginin KR638 Microginin C32H51ClN4O7 639.35190
Microginin 646 Microginin C32H43Cl1N4O8 647.28422
Oscillaginin C Microginin C29H46Cl2N4O8 649.27655
Microginin 674 Microginin C34H50N4O8S 675.34221
Microginin 680 Microginin C32H42Cl2N4O8 681.24525
Microginin 688 Microginin C35H52N4O8S 689.35786
Microginin 690 Microginin C34H50N4O9S 691.33713
Microginin T2 Microginin C36H51N5O9 698.37595
Microginin 704 Microginin C35H52N4O9S 705.35278
Microginin 91C Microginin C37H62N5O8 705.46712
Microginin 713 Microginin C37H55N5O9 714.40725
Microginin FR5 Microginin C38H55N5O9 726.40725
Microginin FR3 Microginin C37H53N5O10 728.38652
Microginin FR1 Microginin C38H57N5O9 728.42340
Cyanostatin A Microginin C38H57N5O9 728.42340
Microginin T1 Microginin C36H50ClN5O9 732.33698
Microginin 91D Microginin C37H60N5O8Cl 738.42032
Microginin 91D Microginin C37H61N5O8Cl 739.42814
Microginin FR6 Microginin C39H57N5O9 740.42290
Microginin FR4 Microginin C38H55N5O10 742.40217
Microginin FR2 Microginin C39H59N5O9 742.43856
Nostoginin BN741 Microginin C39H59N5O9 742.43856
Microginin FR7 Microginin C38H57N5O10 744.41832
Microginin FR10 Microginin C40H56N6O8 749.42324
Microginin FR9 Microginin C39H54N6O9 751.40250
Cyanostatin B Microginin C40H59N5O9 754.43855
Microginin SD755 Microginin C40H61N5O9 756.45420
Microginin 299D Microginin C36H56Cl2N5O8 757.35787
Microginin 757 Microginin C39H59N5O10 758.43347
Microginin 764 Microginin C40H56N6O9 765.41815
Microginin 767 Microginin C41H61N5O9 768.45420
S 46 Microginin 767B Microginin C41H61N5O9 768.45420
Microginin FR8 Microginin C41H61N5O9 768.45421
Microginin KR767 Microginin C41H61N5O9 768.45421
Microginin 478 Microginin C41H63N5O9 770.46985
Microginin FR13 Microginin C41H63N5O9 770.47035
Microginin 99A Microginin C40H58ClN5O8 772.40467
Microginin 91E Microginin C37H60N5O8Cl2 773.38917
Microginin KR815 Microginin C42H62N5O9 781.46203
Microginin KR781 Microginin C42H63N5O9 782.46986
Microginin FR12 Microginin C42H65N5O9 784.48551
Microginin KR787 Microginin C40H58ClN5O9 788.39958
Microginin KR801 Microginin C41H60ClN5O9 802.41523
Microginin 99B Microginin C40H57Cl2N5O8 806.36570
Microginin KR835 Microginin C41H59Cl2N5O9 836.37626
Microginin 299C Microginin C45H68N6O10 853.50697
Microginin 299A Microginin C45H67ClN6O10 887.46800
Microginin 51A Microginin C49H68N6O11 917.50188
Microginin 299B Microginin C45H66Cl2N6O10 921.42902
Microginin 51B Microginin C50H70N6O11 931.51753
Microphycin AL828 Microphycin C40H60O11N8 829.44543
Microphycin KB921 Microphycin C49H63N9O9 922.48215
[l‐Val2]NOD Nodularin C40H57N5O10 768.41782
[DMAdda3]nodularin Nodularin C40H58N8O10 811.43487
[(6Z)-Adda3]nodularin Nodularin C40H58N8O10 811.43487
[d‐Asp1]NOD Nodularin C40H58N8O10 811.43540
[DMAdda3]NOD Nodularin C40H58N8O10 811.43540
[dhb5]NOD Nodularin C40H58N8O10 811.43540
[DAsp1]nodularin Nodularin C40H60N8O10 813.45052
Nodularin Nodularin C41H60N8O10 825.45052
NOD‐R Nodularin C41H60N8O10 825.45110
S 47 [6(Z)‐Adda3]NOD Nodularin C41H60N8O10 825.45110
Dihydronodularin Nodularin C41H62N8O10 827.46617
[l‐Har2]NOD Nodularin C42H62N8O10 839.46617
[Glu4(OMe)]NOD Nodularin C42H62N8O10 839.46670
[MeAdda3]NOD Nodularin C42H62N8O10 839.46670
Adda‐d‐Glu(γ)‐Mdhb‐d‐MeAsp(β)‐l-Arg‐ Nodularin C42H62N8O11 843.46160 OH
Nodularin-R-phenylglyoxal (IIc) Nodularin C48H60N8O10 909.45052
Nodularin-R-phenylglyoxal (IIb) Nodularin C48H62N8O11 927.46108
Nodularin-R-phenylglyoxal (IIa) Nodularin C48H62N8O11 927.46108
Apramide D other C17H22NOCl5 432.02168
Microguanidine LA772 other C29H48N4O14S3 773.24019
Apramide G other C44H73N7O6S 828.54158
Apramide B other C51H78N8O8S 963.57361
Apramide A other C52H80N8O8S 977.58926
Apramide C other C52H82N8O8S 979.60491
Apramide E other C53H80N8O8S 989.58926
Apramide F other C54H84N8O8S 1005.62056
Spumigin C Spumigin C30H40N6O8 613.29804
Spumigin J Spumigin C32H44N4O8 613.32319
Spumigin A Spumigin C31H44N6O7 613.33497
Spumigin B1 Spumigin C31H42N6O8 627.31369
Spumigin B2 Spumigin C31H42N6O8 627.31369
S 48 References
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