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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009115

DIISOBUTYL DISULFIDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009115
RECORD_TITLE: DIISOBUTYL DISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIISOBUTYL DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18S2
CH$EXACT_MASS: 178.08499
CH$SMILES: CC(C)CSSCC(C)C
CH$IUPAC: InChI=1S/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: CAS 1518-72-5
CH$LINK: INCHIKEY ONJROLGQWMBXAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00164873

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6r-9100000000-2d7fb1cacca5ff24bbda
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 10.97 110
  29 27.31 273
  39 10.81 108
  40 1.12 11
  41 38.42 384
  42 1.8 18
  43 8.66 87
  45 6.1 61
  46 3.01 30
  47 2.96 30
  53 1.48 15
  55 6.56 66
  56 1.64 16
  57 99.99 999
  58 4.27 43
  59 1.14 11
  73 1.25 13
  79 2.03 20
  87 4.67 47
  88 1.85 19
  122 9.18 92
  178 17.39 174
  179 1.52 15
  180 1.56 16
//

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