ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008320
RECORD_TITLE: MALONONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: MALONONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₂N₂
CH$EXACT_MASS: 66.02180
CH$SMILES: N#CCC#N
CH$IUPAC: InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
CH$LINK: COMPTOX DTXSID6021907
CH$LINK: INCHIKEY CUONGYYJJVDODC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8010

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-014i-9000000000-149c443e0938100437ce
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  12 1.5 15
  13 0.77 8
  14 1.34 13
  18 0.32 3
  24 0.95 10
  25 1.2 12
  26 3.34 33
  27 1.56 16
  28 11.39 114
  29 0.28 3
  32 0.21 2
  36 0.33 3
  37 0.46 5
  38 25.79 258
  39 22.14 221
  40 4.76 48
  50 1.49 15
  51 1.05 11
  52 0.25 3
  53 0.23 2
  64 5.24 52
  65 8.43 84
  66 99.99 999
  67 4.17 42
  69 0.1 1
//