ACCESSION: MSBNK-Waters-WA002428
RECORD_TITLE: Vincamone; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-009i-0790000000-26477c942ec70094e5d0
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  105 71 71
  106 16 16
  107 149 149
  108 43 43
  109 43 43
  110 82 82
  111 71 71
  112 27 27
  115 16 16
  117 39 39
  118 24 24
  119 43 43
  120 16 16
  121 39 39
  122 121 121
  123 55 55
  124 235 235
  125 12 12
  129 20 20
  130 118 118
  131 51 51
  132 129 129
  133 74 74
  134 43 43
  135 27 27
  136 47 47
  138 20 20
  143 12 12
  144 525 525
  145 51 51
  146 63 63
  150 98 98
  152 133 133
  153 16 16
  155 12 12
  156 59 59
  157 31 31
  158 102 102
  159 12 12
  160 12 12
  164 16 16
  167 27 27
  168 141 141
  169 63 63
  170 110 110
  171 24 24
  172 59 59
  180 67 67
  181 114 114
  182 180 180
  183 47 47
  184 161 161
  185 24 24
  186 16 16
  193 16 16
  194 55 55
  195 98 98
  196 219 219
  197 345 345
  198 188 188
  199 24 24
  206 16 16
  207 39 39
  208 118 118
  209 110 110
  210 294 294
  211 94 94
  212 129 129
  213 12 12
  220 35 35
  221 27 27
  222 161 161
  223 470 470
  224 505 505
  225 400 400
  226 290 290
  227 35 35
  234 43 43
  235 94 94
  236 165 165
  237 251 251
  238 999 999
  239 168 168
  240 20 20
  248 31 31
  249 121 121
  250 55 55
  251 55 55
  252 278 278
  253 137 137
  254 16 16
  263 27 27
  264 118 118
  265 35 35
  266 239 239
  267 51 51
  278 27 27
  293 16 16
  295 172 172
  296 27 27
//