ACCESSION: MSBNK-Waters-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: 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 13.200 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$SPLASH: splash10-000b-0290000000-587ce4bee23975352256
PK$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
//