MassBank Record: WA002429



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

ACCESSION: WA002429
RECORD_TITLE: Vincamone; 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$NAME: Vincamone CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H22N2O CH$EXACT_MASS: 294.17321 CH$SMILES: CCC(C5)(C3)C([H])(N(CC5)4)c(c(CC4)1)n(C(=O)3)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1 CH$LINK: CAS 4880-88-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.200 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: splash10-000b-0290000000-587ce4bee23975352256 PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 105 12 12 107 43 43 108 12 12 110 27 27 111 20 20 119 12 12 121 20 20 122 59 59 124 125 125 130 20 20 132 51 51 133 39 39 136 12 12 138 20 20 144 219 219 145 24 24 146 31 31 147 12 12 150 90 90 152 172 172 153 16 16 156 12 12 158 47 47 164 16 16 168 12 12 170 24 24 172 35 35 181 16 16 182 24 24 184 67 67 185 12 12 196 59 59 197 102 102 198 71 71 208 16 16 209 16 16 210 67 67 211 16 16 212 47 47 222 55 55 223 78 78 224 223 223 225 114 114 226 282 282 227 43 43 235 27 27 236 78 78 237 55 55 238 885 885 239 153 153 240 20 20 248 12 12 249 63 63 250 31 31 251 16 16 252 239 239 253 298 298 254 43 43 264 208 208 265 43 43 266 513 513 267 114 114 278 71 71 279 12 12 293 55 55 295 999 999 296 200 200 297 24 24 //