ACCESSION: MSBNK-RIKEN_NPDepo-CB000064
RECORD_TITLE: Brevicarine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
CH$NAME: Brevicarine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C17H21N3
CH$EXACT_MASS: 267.377
CH$SMILES: CNCCCCc1cnc(C)c2[nH]c3ccccc3c12
CH$IUPAC: InChI=1S/C17H21N3/c1-12-17-16(14-8-3-4-9-15(14)20-17)13(11-19-12)7-5-6-10-18-2/h3-4,8-9,11,18,20H,5-7,10H2,1-2H3
CH$LINK: CAS
25978-39-6
CH$LINK: CHEMSPIDER
4590257
CH$LINK: INCHIKEY
OMGIBPZQATWNBX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40180638
CH$LINK: PUBCHEM
CID:5490034
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0950000000-877635364f6bf5ce3011
PK$NUM_PEAK: 218
PK$PEAK: m/z int. rel.int.
105.1000 120989.7891 21
105.2000 122046.4688 21
113.7000 139877.9219 24
113.8000 230356.0781 41
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