MassBank Record: NGA01393



 14-Benzoyltalatizamine; 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: NGA01393
RECORD_TITLE: 14-Benzoyltalatizamine; 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: Terpenoid alkaloids, Diterpene alkaloid, Delphinium alkaloid

CH$NAME: 14-Benzoyltalatizamine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C31H43NO6 CH$EXACT_MASS: 525.69146 CH$SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC(=O)c5ccccc5)[C@@H](CC23)C14 CH$IUPAC: InChI=1S/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-24(37-4)31-20-13-19-22(36-3)15-30(34,21(27(31)32)14-23(29)31)25(20)26(19)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3/t19-,20?,21+,22+,23?,24+,25?,26+,27?,29+,30+,31-/m1/s1 CH$LINK: INCHIKEY NDYOWPIMXBSPHT-FXMMJRGESA-N
AC$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$SPLASH: splash10-004i-0000090000-332cb9425511301fd0d4 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 525.4 1.43 1 525.5 3.7 3 525.6 7.53 7 525.7 13.66 13 525.8 23.74 23 525.9 38.87 38 526.0 57.76 57 526.1 76.73 76 526.2 91.85 91 526.3 100.0 99 526.4 98.24 98 526.5 84.16 84 526.6 59.13 59 526.7 30.6 30 526.8 8.51 8 526.9 0.03 0 //