MassBank Record: NGA01583



 Brevicarine, N-Ac; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01583
RECORD_TITLE: Brevicarine, N-Ac; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$NAME: Brevicarine, N-Ac CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C19H23N3O CH$EXACT_MASS: 309.41466 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$LINK: INCHIKEY BCCCBOFRSPINSB-UHFFFAOYSA-N
AC$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$SPLASH: splash10-03di-0009000000-89ba34ae0e3ff79f5e5d PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 267.8 2.49 2 267.9 4.02 4 268.0 5.68 5 268.1 6.99 6 268.2 7.59 7 268.3 7.42 7 268.4 6.46 6 268.5 4.73 4 268.6 2.58 2 309.4 1.09 1 309.5 3.26 3 309.6 7.22 7 309.7 14.18 14 309.8 26.33 26 309.9 44.9 44 310.0 67.41 67 310.1 87.85 87 310.2 100.0 99 310.3 99.74 99 310.4 85.21 85 310.5 58.69 58 310.6 28.73 28 310.7 6.41 6 310.8 0.0 0 //