Spectrum CCMSLIB00005435922 for Moroidin-[QLLVWRGGH]

Rating: (*)★(*)★(*)☆( )☆( )☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
C49H69N15O11
1043.5300980279999
O=C(O)C1NC(=O)CNC(=O)CNC(=O)C(NC(=O)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3NC(=O)CC3)C(C=4C=CC5=C(C4)NC(=C5C2)N6C=NC(=C6)C1)C(C)C)CC(C)C)C(C)C)CCCNC(=N)N
InChI=1S/C49H69N15O11/c1-22(2)14-32-45(71)62-39(24(5)6)46(72)61-33-17-28-27-10-9-25(38(23(3)4)40(47(73)60-32)63-43(69)30-11-12-35(65)56-30)15-31(27)58-41(28)64-20-26(55-21-64)16-34(48(74)75)57-37(67)19-53-36(66)18-54-42(68)29(59-44(33)70)8-7-13-52-49(50)51/h9-10,15,20-24,29-30,32-34,38-40,58H,7-8,11-14,16-19H2,1-6H3,(H,53,66)(H,54,68)(H,56,65)(H,57,67)(H,59,70)(H,60,73)(H,61,72)(H,62,71)(H,63,69)(H,74,75)(H4,50,51,52)
YDZQHLJJLNSQOE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
Orbitrap
1043.53
2
f.Rolandoo1/20190519 Moroidin paper GNPS/Moroidin-[QLLVWRGGH].mzXML;
MS2
GNPS-LIBRARY
Roland Kersten, Rolandoo1, Jing-Ke Weng
positive
3.000914471295772
0.4968191930206083
522.78
[M+2H]+