ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008060
RECORD_TITLE: ISOBUTYRONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kf-9000000000-049f41f5e8691843afca
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 1.14 11
  26 3.14 31
  27 7.14 71
  28 18.57 186
  29 1.71 17
  39 2.57 26
  40 4 40
  41 24.43 244
  42 99.99 999
  43 4 40
  52 3.43 34
  53 10.71 107
  54 30 300
  55 1.14 11
  66 1.14 11
  67 1.42 14
  68 66.29 663
  69 3.29 33
//