ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 1617-90-9
CH$LINK: INCHIKEY RXPRRQLKFXBCSJ-GIVPXCGWSA-N
CH$LINK: COMPTOX DTXSID9040134

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
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
//