MassBank Record: NGA02253



 Korseveriline; 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: NGA02253
RECORD_TITLE: Korseveriline; 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: 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$SPLASH: splash10-001i-0000900000-23cdf4a317d49de92771 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 431.5 0.86 0 431.6 3.26 3 431.7 7.99 7 431.8 16.18 16 431.9 29.4 29 432.0 47.91 47 432.1 68.9 68 432.2 87.24 87 432.3 98.44 98 432.4 100.0 99 432.5 90.37 90 432.6 69.43 69 432.7 41.63 41 432.8 16.18 16 432.9 1.37 1 //