ACCESSION: MSBNK-Waters-WA000725
RECORD_TITLE: Oxazepam; 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$NAME: Oxazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁ClN₂O₂
CH$EXACT_MASS: 286.05091
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)/t15-/m0/s1
CH$LINK: CAS 604-75-1
CH$LINK: INCHIKEY ADIMAYPTOBDMTL-HNNXBMFYSA-N

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 15.100 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$SPLASH: splash10-0udi-0940000000-acd6c3ae3bb4fa065dbe
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  104 999 999
  105 63 63
  111 8 8
  117 12 12
  118 118 118
  122 8 8
  126 24 24
  128 161 161
  129 12 12
  130 20 20
  138 31 31
  139 12 12
  140 12 12
  145 47 47
  151 8 8
  152 16 16
  153 157 157
  154 8 8
  155 51 51
  163 114 114
  164 24 24
  165 39 39
  166 20 20
  168 8 8
  169 8 8
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  180 12 12
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  194 12 12
  195 51 51
  196 12 12
  204 12 12
  205 20 20
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  214 24 24
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  241 329 329
  242 12 12
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  327 20 20
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  596 12 12
  597 31 31
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  611 8 8
  613 8 8
//