ACCESSION: MSBNK-Waters-WA002423
RECORD_TITLE: Vincamine; 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$NAME: Vincamine
CH$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 75 V

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

PK$SPLASH: splash10-000x-0692000000-3271225bf1fbe7e9f476
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
  105 67 67
  107 78 78
  108 47 47
  109 31 31
  110 262 262
  111 51 51
  112 63 63
  115 12 12
  117 51 51
  118 16 16
  119 20 20
  120 31 31
  121 31 31
  122 71 71
  123 121 121
  124 270 270
  125 31 31
  130 74 74
  131 20 20
  132 27 27
  133 24 24
  134 125 125
  135 63 63
  136 35 35
  138 16 16
  144 999 999
  145 114 114
  146 27 27
  148 31 31
  150 16 16
  151 27 27
  152 431 431
  153 43 43
  154 20 20
  156 59 59
  157 16 16
  158 51 51
  160 16 16
  162 59 59
  164 24 24
  165 24 24
  167 16 16
  168 24 24
  169 20 20
  170 51 51
  171 16 16
  172 24 24
  180 27 27
  181 39 39
  182 39 39
  183 16 16
  184 31 31
  192 12 12
  193 12 12
  194 78 78
  195 24 24
  196 31 31
  197 12 12
  198 27 27
  204 12 12
  205 16 16
  206 43 43
  207 27 27
  208 82 82
  209 55 55
  210 35 35
  211 12 12
  212 231 231
  213 27 27
  218 16 16
  219 24 24
  220 67 67
  221 47 47
  222 90 90
  223 35 35
  224 90 90
  225 27 27
  226 31 31
  232 12 12
  233 16 16
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  235 51 51
  236 63 63
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  238 47 47
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  240 20 20
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  246 16 16
  247 16 16
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  249 67 67
  250 82 82
  251 39 39
  252 55 55
  253 82 82
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  262 31 31
  263 20 20
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  266 223 223
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  268 262 262
  269 35 35
  276 35 35
  277 90 90
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  280 979 979
  281 184 184
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  290 16 16
  291 24 24
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  295 192 192
  296 35 35
  305 16 16
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  309 125 125
  310 31 31
  320 20 20
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  338 125 125
  339 16 16
  353 16 16
  355 121 121
  356 20 20
//