ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009050
RECORD_TITLE: ALLYL ISOTHIOCYANATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL ISOTHIOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₅NS
CH$EXACT_MASS: 99.01427
CH$SMILES: C=CCN=C=S
CH$IUPAC: InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
CH$LINK: CAS 57-06-7
CH$LINK: INCHIKEY ZOJBYZNEUISWFT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020047

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000e-9000000000-74e6764518eaef9083ea
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  32 4.01 40
  37 6.63 66
  38 12.07 121
  39 76.42 764
  40 8.02 80
  41 88.01 880
  42 2.76 28
  44 7.9 79
  45 12.31 123
  46 1.91 19
  51 1.24 12
  52 1.23 12
  54 1.14 11
  58 5.94 59
  59 5.73 57
  60 2.06 21
  67 1.18 12
  69 1.47 15
  70 7.97 80
  71 9.66 97
  72 31.94 319
  73 1.56 16
  74 1.09 11
  98 5.83 58
  99 99.99 999
  100 5.78 58
  101 4.48 45
//