ACCESSION: MSBNK-Waters-WA000296
RECORD_TITLE: Temazepam; 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$NAME: Temazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃ClN₂O₂
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
CH$LINK: CAS 846-50-4
CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021309

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 15.850 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$SPLASH: splash10-0a4l-0970000000-bcab502390aaa2fb3c51
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  104 212 212
  105 24 24
  106 12 12
  107 47 47
  111 8 8
  116 43 43
  117 133 133
  118 35 35
  123 16 16
  125 153 153
  127 106 106
  129 20 20
  132 24 24
  138 24 24
  139 12 12
  140 12 12
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  145 8 8
  150 78 78
  151 8 8
  152 86 86
  153 12 12
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  157 8 8
  164 8 8
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  167 16 16
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  177 247 247
  178 27 27
  179 98 98
  180 98 98
  181 55 55
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  192 24 24
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  214 16 16
  216 31 31
  218 8 8
  219 24 24
  220 12 12
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  222 8 8
  227 12 12
  228 215 215
  229 63 63
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  245 20 20
  255 987 987
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  257 427 427
  258 59 59
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  271 12 12
  283 8 8
  323 51 51
  324 8 8
  325 20 20
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  365 8 8
  381 8 8
//