MassBank Record: NGA02255



 Korseveriline; 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: NGA02255
RECORD_TITLE: Korseveriline; 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: Steroidal alkaloids, Cevanine alkaloids

CH$NAME: Korseveriline CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C27H45NO3 CH$EXACT_MASS: 431.66460000000006 CH$SMILES: C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 CH$IUPAC: InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m1/s1 CH$LINK: CAS 21851-05-8 CH$LINK: PUBCHEM CID:4477302 CH$LINK: INCHIKEY NQGYOUYEGZOZBN-QAJIXOGVSA-N
AC$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$SPLASH: splash10-001i-0000900000-d26d7077849b62a3e32a PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 431.4 0.42 0 431.5 1.58 1 431.6 4.16 4 431.7 8.54 8 431.8 15.46 15 431.9 26.48 26 432.0 42.75 42 432.1 62.74 62 432.2 82.04 81 432.3 95.63 95 432.4 100.0 99 432.5 92.99 92 432.6 73.97 73 432.7 46.6 46 432.8 19.77 19 432.9 2.37 2 //