ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000919
RECORD_TITLE: 3-BUTENYL ISOTHIOCYANATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KAMEOKA H, DEPT. OF APPLIED CHEMISTRY, FAC. OF SCI. AND ENGINEERING, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-BUTENYL ISOTHIOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H7NS
CH$EXACT_MASS: 113.02992
CH$SMILES: C=CCCN=C=S
CH$IUPAC: InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2
CH$LINK: COMPTOX DTXSID30187494
CH$LINK: INCHIKEY SKIHGKNFJKJXPX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:76922
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-05fr-9200000000-1a40200ada4e3470682d
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  39 49.1 491
  41 28.3 283
  51 13.2 132
  53 1.89 19
  55 49.1 491
  58 7.6 76
  59 11.3 113
  60 0.94 9
  72 99.99 999
  73 9.4 94
  74 17 170
  85 1.51 15
  113 50.9 509
  114 9.4 94
  115 7.7 77
//
