ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003206
RECORD_TITLE: BARBITAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BARBITAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₂O₃
CH$EXACT_MASS: 184.08479
CH$SMILES: CCC(CC)(C(=O)1)C(=O)NC(=O)N1
CH$IUPAC: InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
CH$LINK: INCHIKEY FTOAOBMCPZCFFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022643

AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9400000000-fa1289872f9f35015abc
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  37 6 60
  38 10 100
  39 85 850
  40 16 160
  41 88 880
  42 12 120
  43 15 150
  44 39 390
  52 6 60
  53 26 260
  54 22 220
  55 65 650
  56 12 120
  68 6 60
  69 33 330
  70 27 270
  83 32 320
  85 13 130
  98 30 300
  112 27 270
  141 85 850
  142 6 60
  155 46 460
  156 99.99 999
  157 8 80
  184 7 70
//