ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004002
RECORD_TITLE: ISOBUTYRONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇N
CH$EXACT_MASS: 69.05785
CH$SMILES: N#CC(C)C
CH$IUPAC: InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
CH$LINK: INCHIKEY LRDFRRGEGBBSRN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026461

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00mo-9000000000-ceda4d50d028af39e1bf
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  13 1.5 15
  14 2.3 23
  15 10.4 104
  25 0.1 1
  26 12 120
  27 20 200
  28 31.5 315
  29 0.15 2
  37 4 40
  38 5 50
  39 13.3 133
  40 0.6 6
  41 12.2 122
  42 99.99 999
  43 3.5 35
  51 0.41 4
  52 9 90
  53 9 90
  54 23 230
  55 0.13 1
  64 1.1 11
  66 1.2 12
  68 46.9 469
//