ACCESSION: MSBNK-Waters-WA000364
RECORD_TITLE: Triazolam; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0005-0009000000-e4e2e3cd521b3764bdd6
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  138 35 35
  140 12 12
  162 8 8
  165 39 39
  167 16 16
  171 24 24
  206 55 55
  208 20 20
  238 24 24
  239 24 24
  240 12 12
  241 8 8
  250 8 8
  253 12 12
  267 8 8
  272 8 8
  273 8 8
  274 8 8
  275 20 20
  277 12 12
  279 35 35
  280 12 12
  281 16 16
  285 8 8
  289 8 8
  307 12 12
  308 454 454
  309 51 51
  310 153 153
  311 27 27
  315 184 184
  316 12 12
  317 121 121
  318 24 24
  319 20 20
  343 999 999
  345 842 842
  346 184 184
  347 176 176
  348 35 35
  365 47 47
  367 35 35
//