ACCESSION: MSBNK-Waters-WA002509
RECORD_TITLE: Tramadol; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-03di-0290000000-02df307c1c0ab2e02ce9
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  109 39 39
  110 16 16
  111 35 35
  113 47 47
  115 43 43
  121 90 90
  123 16 16
  135 43 43
  145 20 20
  150 12 12
  156 24 24
  159 55 55
  168 16 16
  187 71 71
  201 63 63
  246 196 196
  247 12 12
  249 16 16
  262 74 74
  263 27 27
  264 999 999
  265 149 149
  266 31 31
  278 51 51
//