ACCESSION: MSBNK-Waters-WA001049
RECORD_TITLE: Lorazepam; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Lorazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀Cl₂N₂O₂
CH$EXACT_MASS: 320.01193
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
CH$LINK: CAS 846-49-1
CH$LINK: INCHIKEY DIWRORZWFLOCLC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023225

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.200 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 30 V

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

PK$SPLASH: splash10-00si-0189000000-5f8ae377dc718bb28504
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  103 24 24
  109 8 8
  110 8 8
  117 8 8
  119 16 16
  123 12 12
  126 8 8
  128 8 8
  131 20 20
  132 20 20
  134 8 8
  136 16 16
  138 8 8
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  149 12 12
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  154 8 8
  156 8 8
  159 20 20
  166 8 8
  175 8 8
  176 8 8
  178 8 8
  190 8 8
  192 24 24
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  200 16 16
  202 12 12
  207 16 16
  210 12 12
  211 8 8
  214 8 8
  216 8 8
  219 8 8
  221 12 12
  225 8 8
  228 31 31
  231 8 8
  233 8 8
  238 8 8
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  248 8 8
  251 16 16
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  256 20 20
  259 16 16
  263 20 20
  269 8 8
  270 8 8
  274 8 8
  283 999 999
  284 321 321
  285 368 368
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  303 12 12
  305 20 20
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  310 8 8
  316 8 8
  319 823 823
  320 165 165
  321 584 584
  322 94 94
  323 125 125
  324 8 8
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  395 8 8
//