MassBank Record: NGA01584



 Brevicarine, N-Ac; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01584
RECORD_TITLE: Brevicarine, N-Ac; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-01p9-0194000000-b06e3dc95c3eaea36f3e PK$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 //