ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004005
RECORD_TITLE: ISOCAPRONITRILE; 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$NAME: ISOCAPRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁N
CH$EXACT_MASS: 97.08915
CH$SMILES: N#CCCC(C)C
CH$IUPAC: InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3
CH$LINK: INCHIKEY DUJMVKJJUANUMQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060256

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$SPLASH: splash10-0a6r-9000000000-dbb2ccac0cfe693e7579
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  13 1.5 15
  14 2 20
  15 12.6 126
  26 0.75 8
  27 38.2 382
  28 11.3 113
  29 20.9 209
  37 0.25 3
  38 3.9 39
  39 29.3 293
  40 5.9 59
  41 5.23 52
  42 7 70
  43 45.3 453
  44 1.5 15
  50 0.15 2
  51 3.4 34
  52 3.3 33
  53 5 50
  55 99.99 999
  56 5.4 54
  57 27 270
  58 1.1 11
  69 0.2 2
  81 1.3 13
  82 13.1 131
  96 9.5 95
//