ACCESSION: MSBNK-Waters-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: 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 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
//