ACCESSION: MSBNK-Waters-WA002427
RECORD_TITLE: Vincamone; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 4880-88-0
CH$LINK: INCHIKEY WYJAPUKIYAZSEM-MOPGFXCFSA-N
CH$LINK: COMPTOX DTXSID6045119

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 13.600 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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00di-0960000000-cb6d3a8456b37347a63d
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  103 43 43
  105 219 219
  106 110 110
  107 251 251
  108 165 165
  109 149 149
  110 141 141
  111 82 82
  112 39 39
  115 145 145
  116 24 24
  117 259 259
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  296 12 12
//