ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000923
RECORD_TITLE: 6-METHYLTHIOHEXANENITRILE; 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$NAME: 6-METHYLTHIOHEXANENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₃NS
CH$EXACT_MASS: 143.07687
CH$SMILES: N#CCCCCCSC
CH$IUPAC: InChI=1S/C7H13NS/c1-9-7-5-3-2-4-6-8/h2-5,7H2,1H3
CH$LINK: INCHIKEY ULSCBSNSXYDREI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70223224

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$SPLASH: splash10-01ox-9100000000-1b714c059fb8b0326888
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  32 22.5 225
  39 21 210
  41 52 520
  45 2 20
  48 21 210
  55 37.5 375
  61 99.99 999
  62 1.15 12
  63 6 60
  69 26 260
  73 6.5 65
  75 1 10
  82 13.5 135
  85 6 60
  96 27.5 275
  97 1.9 19
  128 7.5 75
  143 54.5 545
  144 8.5 85
  145 5 50
//