ACCESSION: MSBNK-RIKEN_NPDepo-NGA01582
RECORD_TITLE: Brevicarine, N-Ac; 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$NAME: Brevicarine, N-Ac
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₃N₃O
CH$EXACT_MASS: 309.4147
CH$SMILES: CC(=O)N(C)CCCCc1cnc(C)c2[nH]c3ccccc3c12
CH$IUPAC: InChI=1S/C19H23N3O/c1-13-19-18(16-9-4-5-10-17(16)21-19)15(12-20-13)8-6-7-11-22(3)14(2)23/h4-5,9-10,12,21H,6-8,11H2,1-3H3
CH$LINK: INCHIKEY BCCCBOFRSPINSB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5551133

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$SPLASH: splash10-03di-0009000000-efe832b58fb054a80331
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  309.4 1.16 1
  309.5 3.48 3
  309.6 7.46 7
  309.7 14.29 14
  309.8 26.32 26
  309.9 44.87 44
  310.0 67.29 67
  310.1 87.42 87
  310.2 99.4 99
  310.3 100.0 99
  310.4 87.58 87
  310.5 62.99 62
  310.6 33.05 33
  310.7 8.85 8
  310.8 0.0 0
//