ACCESSION: MSBNK-Waters-WA000363
RECORD_TITLE: Triazolam; 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$NAME: Triazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₂Cl₂N₄
CH$EXACT_MASS: 342.04390
CH$SMILES: Clc(c3)cc(C=1c(c4)c(Cl)ccc4)c(c3)n(c(C)2)c(nn2)CN1
CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
CH$LINK: CAS 28911-01-5
CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6046763

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 15.300 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$SPLASH: splash10-066v-0149000000-e403db8990425383ec8c
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  101 8 8
  102 27 27
  103 12 12
  111 31 31
  113 16 16
  115 12 12
  127 8 8
  129 12 12
  130 20 20
  137 8 8
  138 165 165
  140 55 55
  142 8 8
  143 8 8
  152 8 8
  162 20 20
  163 39 39
  165 204 204
  167 55 55
  168 12 12
  171 121 121
  172 12 12
  177 8 8
  190 16 16
  196 12 12
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  208 35 35
  212 20 20
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  217 16 16
  218 20 20
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  225 20 20
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  227 8 8
  231 20 20
  232 20 20
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  239 321 321
  240 86 86
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  242 20 20
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  244 12 12
  245 16 16
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  252 39 39
  253 114 114
  254 27 27
  255 39 39
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  261 27 27
  262 16 16
  263 20 20
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  266 16 16
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  269 8 8
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  274 27 27
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  348 24 24
  365 39 39
  367 27 27
//