ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000921
RECORD_TITLE: 5-METHYLTHIOPENTANENITRILE; 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$NAME: 5-METHYLTHIOPENTANENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NS
CH$EXACT_MASS: 129.06122
CH$SMILES: N#CCCCCSC
CH$IUPAC: InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
CH$LINK: INCHIKEY XPUDGEZWSNPCMM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50974560

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$SPLASH: splash10-03gi-9100000000-c83faf1b967891a0cc4b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  32 24 240
  35 15.5 155
  39 21 210
  41 2.4 24
  45 20 200
  46 15 150
  47 20 200
  48 2.5 25
  53 10 100
  54 20 200
  55 29.5 295
  61 99.99 999
  62 9.5 95
  63 10 100
  73 9.5 95
  75 1.05 11
  82 43 430
  83 20.5 205
  87 16.5 165
  114 0.12 1
  129 55 550
  130 8 80
  131 7 70
//