MassBank Record: WA002425



 Vincamine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002425
RECORD_TITLE: Vincamine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Vincamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H26N2O3 CH$EXACT_MASS: 354.19434 CH$SMILES: COC(=O)C(O)(C1)n(c54)c(c3c(cccc5)4)C([H])(N2CC3)C(CC)(CCC2)1 CH$IUPAC: InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1 CH$LINK: CAS 1617-90-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.000 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4r-0009000000-a80d30b75b3ba0e83e65 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 144 12 12 212 27 27 268 12 12 280 24 24 294 27 27 295 20 20 308 51 51 309 12 12 310 16 16 337 737 737 338 165 165 339 20 20 353 47 47 355 999 999 356 223 223 357 27 27 359 20 20 //