ACCESSION: MSBNK-Waters-WA002508
RECORD_TITLE: Tramadol; 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$NAME: Tramadol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₅NO₂
CH$EXACT_MASS: 263.18853
CH$SMILES: COc(c2)cc(cc2)C(O)(C1)C(CN(C)C)CCC1
CH$IUPAC: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
CH$LINK: CAS 27203-92-5
CH$LINK: INCHIKEY TVYLLZQTGLZFBW-ZBFHGGJFSA-N
CH$LINK: COMPTOX DTXSID90858931

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 11.900 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$SPLASH: splash10-0229-0930000000-3ed27598653d39c5a2d2
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  103 16 16
  105 59 59
  107 27 27
  109 71 71
  110 86 86
  111 24 24
  113 196 196
  115 20 20
  117 71 71
  118 12 12
  119 43 43
  121 999 999
  122 98 98
  123 43 43
  124 24 24
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  128 16 16
  129 39 39
  131 55 55
  132 24 24
  133 51 51
  135 251 251
  137 24 24
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  148 20 20
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  154 16 16
  158 78 78
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  210 16 16
  212 12 12
  213 12 12
  231 12 12
  232 12 12
  246 110 110
  247 16 16
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  264 713 713
  265 149 149
//