Spectrum CCMSLIB00000850700 for NCGC00380403-01_C19H23N3O4_2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6-acetyl-6,10b,11,11a-tetrahydro-10b-hydroxy-3-(2-methylpropyl)-

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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
n/a
n/a
InChI=1S/C19H23N3O4/c1-10(2)8-13-17(25)22-15(16(24)20-13)9-19(26)12-6-4-5-7-14(12)21(11(3)23)18(19)22/h4-7,10,13,15,18,26H,8-9H2,1-3H3,(H,20,24)
C19H23N3O4
357.16885621600005
O=C(N1C=2C=CC=CC2C3(O)CC4C(O)=NC(C(=O)N4C13)CC(C)C)C
IQSAULADRNRYOT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
357.169
1
negative
E7_GE7_01_8230.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.082396238883833
0.683981242207881
402.167
[M+FA-H]-