MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003166

DIAZEPAM; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003166
RECORD_TITLE: DIAZEPAM; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

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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$LINK: INCHIKEY AAOVKJBEBIDNHE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020406

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-000i-0090000000-413ec5151b3a9fd41c47
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  284 3 30
  285 99.99 999
  286 19 190
  287 34 340
  288 6 60
//