Microcystin-RY

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Systematic / IUPAC Name:

ID: Reference8282

Other Names:

Formula: C52H72N10O13

Class: Natural Toxins

Spectral Data

Microcystin-RY mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 145
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2018 7:56:15 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29?,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
InChI Key YCVNLMLOLNNEKI-KDOIRYFKSA-N
Canonical SMILES O=C1CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N1C)C)CCCNC(=N)N)C(=O)O)C)Cc1ccc(O)cc1)/C=C/C(=C/C(C)[C@H](Cc1ccccc1)OC)/C)C)C(=O)O
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Other Names

In Other Databases

Wikipedia Microcystin