ACCESSION: MSBNK-RIKEN_NPDepo-NGA01584
RECORD_TITLE: Brevicarine, N-Ac; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-01p9-0194000000-b06e3dc95c3eaea36f3e
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  194.5 1.61 1
  194.6 2.8 2
  194.7 4.81 4
  194.8 8.04 8
  194.9 12.21 12
  195.0 16.08 16
  195.1 18.32 18
  195.2 18.5 18
  195.3 16.79 16
  195.4 13.41 13
  195.5 9.12 9
  195.8 8.48 8
  195.9 12.65 12
  196.0 16.06 16
  196.1 17.72 17
  196.2 17.64 17
  196.3 15.92 15
  196.4 12.39 12
  196.5 7.51 7
  196.6 2.83 2
  236.3 0.55 0
  236.4 1.91 1
  236.5 4.86 4
  236.6 9.9 9
  236.7 18.93 18
  236.8 34.8 34
  236.9 57.34 57
  237.0 80.51 80
  237.1 96.09 95
  237.2 100.0 99
  237.3 92.65 92
  237.4 75.07 74
  237.5 49.34 49
  237.6 22.36 22
  237.7 3.72 3
  267.4 1.29 1
  267.5 3.68 3
  267.6 7.57 7
  267.7 13.65 13
  267.8 23.18 23
  267.9 36.8 36
  268.0 52.51 52
  268.1 65.67 65
  268.2 71.95 71
  268.3 69.69 69
  268.4 59.15 59
  268.5 41.76 41
  268.6 21.75 21
  268.7 5.79 5
  268.8 0.08 0
  309.4 1.46 1
  309.5 3.64 3
  309.6 7.63 7
  309.7 14.62 14
  309.8 26.2 26
  309.9 43.15 43
  310.0 63.47 63
  310.1 82.14 82
  310.2 93.72 93
  310.3 94.5 94
  310.4 82.42 82
  310.5 58.52 58
  310.6 29.89 29
  310.7 7.39 7
  310.8 0.0 0
//