MassBank Record: WA002424



 Vincamine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002424
RECORD_TITLE: Vincamine; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0159000000-9a6aeef404db8e3020bb PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 110 31 31 112 16 16 123 16 16 124 31 31 144 200 200 145 16 16 152 74 74 158 12 12 194 27 27 212 149 149 213 16 16 222 16 16 224 20 20 236 12 12 248 16 16 249 12 12 250 27 27 253 16 16 265 12 12 266 20 20 267 31 31 268 90 90 269 16 16 277 31 31 278 20 20 280 274 274 281 51 51 282 27 27 293 39 39 294 266 266 295 118 118 296 16 16 305 12 12 306 24 24 307 16 16 308 243 243 309 63 63 310 35 35 320 12 12 337 999 999 338 239 239 339 31 31 353 39 39 355 274 274 356 67 67 //