MassBank Record: NGA00207



 Brevicarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00207
RECORD_TITLE: Brevicarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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: 267.37702 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: PUBCHEM CID:4590257 CH$LINK: INCHIKEY OMGIBPZQATWNBX-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0090000000-be3c7144f1ac52947363 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 236.6 1.9 1 236.7 3.48 3 236.8 6.17 6 236.9 9.56 9 237.0 12.7 12 237.1 14.63 14 237.2 14.79 14 237.3 12.92 12 237.4 9.17 9 237.5 4.62 4 237.6 1.06 1 267.3 1.58 1 267.4 3.34 3 267.5 6.08 6 267.6 10.23 10 267.7 18.01 17 267.8 32.33 32 267.9 53.15 53 268.0 75.58 75 268.1 92.66 92 268.2 100.0 99 268.3 96.92 96 268.4 83.73 83 268.5 61.15 61 268.6 33.76 33 268.7 10.49 10 268.8 0.09 0 //