ACCESSION: MSBNK-Waters-WA002507
RECORD_TITLE: Tramadol; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Tramadol
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-074i-0920000000-cba5a1bfce39a9a42c04
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  103 82 82
  105 231 231
  106 24 24
  107 118 118
  108 12 12
  109 63 63
  110 47 47
  113 82 82
  115 82 82
  116 47 47
  117 94 94
  118 94 94
  119 67 67
  121 999 999
  125 47 47
  128 114 114
  129 153 153
  130 43 43
  131 67 67
  132 51 51
  133 82 82
  135 180 180
  136 27 27
  138 24 24
  141 39 39
  142 20 20
  144 255 255
  145 235 235
  146 63 63
  147 78 78
  148 16 16
  150 12 12
  152 43 43
  153 16 16
  155 35 35
  156 12 12
  157 24 24
  158 137 137
  159 286 286
  160 43 43
  161 27 27
  172 67 67
  173 43 43
  185 12 12
  186 16 16
  202 82 82
  213 20 20
  230 20 20
  231 12 12
  232 20 20
  246 16 16
  249 27 27
  264 693 693
  265 74 74
  266 16 16
//