ACCESSION: MSBNK-Waters-WA000301
RECORD_TITLE: Tetrazepam; 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$NAME: Tetrazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₇ClN₂O
CH$EXACT_MASS: 288.10294
CH$SMILES: Clc(c2)cc(C=1C(C3)=CCCC3)c(c2)N(C)C(=O)CN1
CH$IUPAC: InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3
CH$LINK: CAS 10379-14-3
CH$LINK: INCHIKEY IQWYAQCHYZHJOS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00146058

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 17.800 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$SPLASH: splash10-004j-0790000000-33768e8e41425e81892a
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  108 12 12
  109 24 24
  110 63 63
  118 35 35
  119 12 12
  120 24 24
  131 31 31
  132 16 16
  133 8 8
  140 27 27
  141 16 16
  142 12 12
  143 31 31
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  148 8 8
  151 8 8
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  154 223 223
  155 24 24
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  169 165 165
  170 55 55
  171 63 63
  172 125 125
  173 12 12
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  205 43 43
  206 43 43
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  210 39 39
  211 98 98
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  214 24 24
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  290 63 63
  291 212 212
  292 24 24
//