ACCESSION: MSBNK-Waters-WA001001
RECORD_TITLE: Diazepam; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Diazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃ClN₂O
CH$EXACT_MASS: 284.07164
CH$SMILES: Clc(c2)cc(C=1c(c3)cccc3)c(c2)N(C)C(=O)CN1
CH$IUPAC: InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
CH$LINK: CAS 439-14-5
CH$LINK: INCHIKEY AAOVKJBEBIDNHE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020406

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 16.900 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$SPLASH: splash10-000i-0490000000-fe9f1f1e8aca9f73d015
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  105 86 86
  116 12 12
  117 16 16
  118 12 12
  141 8 8
  143 8 8
  144 8 8
  147 24 24
  152 8 8
  154 372 372
  155 24 24
  156 129 129
  157 8 8
  167 43 43
  169 8 8
  172 55 55
  179 39 39
  180 51 51
  181 12 12
  182 114 114
  183 8 8
  184 31 31
  193 345 345
  194 59 59
  195 27 27
  197 8 8
  204 12 12
  205 8 8
  206 8 8
  207 20 20
  216 20 20
  220 12 12
  221 35 35
  222 329 329
  223 55 55
  227 12 12
  228 255 255
  229 16 16
  230 90 90
  231 8 8
  241 47 47
  242 24 24
  243 20 20
  244 8 8
  255 47 47
  256 8 8
  257 309 309
  258 39 39
  259 94 94
  260 12 12
  285 999 999
  286 145 145
  287 345 345
  288 51 51
//