ACCESSION: MSBNK-RIKEN_NPDepo-NGA01581
RECORD_TITLE: Brevicarine, N-Ac; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-03di-0009000000-c5e738d40d0a4ee43311
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  309.4 0.78 0
  309.5 2.31 2
  309.6 5.88 5
  309.7 13.14 13
  309.8 26.16 26
  309.9 45.6 45
  310.0 68.43 68
  310.1 88.4 88
  310.2 99.85 99
  310.3 100.0 99
  310.4 87.66 87
  310.5 63.52 63
  310.6 33.79 33
  310.7 9.34 9
  310.8 0.0 0
//