ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000927
RECORD_TITLE: 9-METHYLTHIONONANENITRILE; 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$NAME: 9-METHYLTHIONONANENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₉NS
CH$EXACT_MASS: 185.12382
CH$SMILES: N#CCCCCCCCCSC
CH$IUPAC: InChI=1S/C10H19NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3
CH$LINK: INCHIKEY KQKRRHTVZQEXBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20973782

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$SPLASH: splash10-03ea-9200000000-67ed2376446a82b0f7bb
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  41 10.5 105
  48 7 70
  55 41.5 415
  61 99.99 999
  62 13 130
  63 10.5 105
  69 25 250
  75 1.45 15
  81 18.5 185
  82 23.5 235
  83 33 330
  94 1.8 18
  95 12.5 125
  96 99 990
  97 19.5 195
  108 2 20
  109 9 90
  110 35 350
  122 11.5 115
  138 4.3 43
  170 11.5 115
  185 40 400
  186 7.5 75
  187 2 20
//