ACCESSION: MSBNK-Waters-WA000903
RECORD_TITLE: Alprazolam; 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$NAME: Alprazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₃ClN₄
CH$EXACT_MASS: 308.08287
CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c(C)2)c(nn2)CN1
CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
CH$LINK: CAS 28981-97-7
CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022577

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 15.150 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$SPLASH: splash10-0a4i-0049000000-b2430af85f82b2bee70c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  104 8 8
  138 12 12
  165 16 16
  167 8 8
  172 16 16
  204 8 8
  205 20 20
  206 27 27
  226 12 12
  227 12 12
  240 8 8
  241 47 47
  242 8 8
  243 12 12
  245 12 12
  247 8 8
  251 31 31
  253 12 12
  255 16 16
  274 149 149
  275 27 27
  280 8 8
  281 262 262
  282 43 43
  283 90 90
  284 12 12
  298 8 8
  309 999 999
  310 129 129
  311 357 357
  312 47 47
  331 12 12
  347 12 12
//