ACCESSION: MSBNK-RIKEN_NPDepo-NGA00207
RECORD_TITLE: Brevicarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$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
//