MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003154

APROBARBITAL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003154
RECORD_TITLE: APROBARBITAL; 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$NAME: APROBARBITAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄N₂O₃
CH$EXACT_MASS: 210.10044
CH$SMILES: C=CCC(C(C)C)(C(=O)1)C(=O)NC(=O)N1
CH$IUPAC: InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
CH$LINK: INCHIKEY UORJNBVJVRLXMQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022616

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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$SPLASH: splash10-03di-0090000000-b13a014a6928d0747567
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  171 3 30
  185 2 20
  211 99.99 999
  212 12 120
  213 2 20
//