ACCESSION: MSBNK-Waters-WA000901
RECORD_TITLE: Alprazolam; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Alprazolam
CH$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 90 V

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

PK$SPLASH: splash10-0a4i-0390000000-2e201b420df5d348ad5a
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  102 20 20
  103 35 35
  104 94 94
  105 8 8
  111 16 16
  115 12 12
  116 12 12
  117 8 8
  118 59 59
  127 8 8
  128 20 20
  129 67 67
  130 24 24
  131 59 59
  138 82 82
  139 12 12
  140 35 35
  142 8 8
  143 12 12
  144 8 8
  145 8 8
  152 31 31
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  170 20 20
  171 43 43
  172 31 31
  176 8 8
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  178 43 43
  179 24 24
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  191 67 67
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  205 999 999
  206 196 196
  207 16 16
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  214 8 8
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  220 20 20
  224 59 59
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  227 63 63
  228 20 20
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  347 20 20
  349 8 8
//