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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008547

DI-SEC-BUTYL DISULFIDE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008547
RECORD_TITLE: DI-SEC-BUTYL 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$NAME: DI-SEC-BUTYL DISULFIDE
CH$NAME: DI-SEC-BUTYL DISULFANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18S2
CH$EXACT_MASS: 178.08499
CH$SMILES: CCC(C)SSC(C)CC
CH$IUPAC: InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY QTWKINKGAHTPFJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044698

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$SPLASH: splash10-0a6r-9200000000-433b24eb442935834bae
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 8.93 89
  28 1.83 18
  29 31.33 313
  39 7.59 76
  41 28.83 288
  42 1.09 11
  45 2.76 28
  47 1.2 12
  53 1.41 14
  55 5.59 56
  56 4.27 43
  57 99.99 999
  58 4.02 40
  59 5.33 53
  60 1.73 17
  61 2.57 26
  64 1.01 10
  66 1.51 15
  88 1.25 13
  93 1.66 17
  122 28.57 286
  123 1.54 15
  124 2.31 23
  178 19.76 198
  179 1.79 18
  180 1.59 16
//

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