ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000920
RECORD_TITLE: 4-PENTENYL 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$NAME: 4-PENTENYL ISOTHIOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NS
CH$EXACT_MASS: 127.04557
CH$SMILES: C=CCCCN=C=S
CH$IUPAC: InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
CH$LINK: INCHIKEY DBISBKDNOKIADM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70170986

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$SPLASH: splash10-0076-9100000000-b80ff5278e20ade2da97
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39 53.2 532
  41 99.99 999
  42 12.8 128
  45 1.49 15
  53 23.4 234
  55 19.2 192
  58 10.6 106
  59 0.85 9
  60 12.8 128
  67 34 340
  68 14.9 149
  69 1.06 11
  70 34 340
  72 25.5 255
  85 21.3 213
  99 1.7 17
  126 14.9 149
  127 17 170
  128 6 60
  129 7.5 75
//