MassBank Record: NGA01565



 (+)-beta-Hydrastine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01565
RECORD_TITLE: (+)-beta-Hydrastine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids

CH$NAME: (+)-beta-Hydrastine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C21H21NO6 CH$EXACT_MASS: 383.40462 CH$SMILES: COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3 CH$IUPAC: InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1 CH$LINK: CAS 118-08-1 CH$LINK: PUBCHEM CID:1269 CH$LINK: INCHIKEY JZUTXVTYJDCMDU-RBUKOAKNSA-N
AC$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$SPLASH: splash10-001i-0009000000-d4c8e264a74638b29774 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 383.3 0.95 0 383.4 2.91 2 383.5 6.02 6 383.6 10.74 10 383.7 18.86 18 383.8 32.63 32 383.9 52.33 52 384.0 74.24 74 384.1 91.96 91 384.2 100.0 99 384.3 95.22 95 384.4 76.73 76 384.5 48.22 48 384.6 19.58 19 384.7 1.35 1 //