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MassBank Record: JP009164

S-ETHYL THIOACETATE; EI-B; MS

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

ACCESSION: JP009164
RECORD_TITLE: S-ETHYL THIOACETATE; 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$NAME: S-ETHYL THIOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8OS
CH$EXACT_MASS: 104.02959
CH$SMILES: CCSC(C)=O
CH$IUPAC: InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
CH$LINK: INCHIKEY APTGPWJUOYMUCE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060807

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$SPLASH: splash10-0006-9100000000-ed6927b9e2dbf4a5f682
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 6.4 64
  26 1.92 19
  27 10.79 108
  28 1.24 12
  29 7.65 77
  35 2.33 23
  42 3.26 33
  43 99.99 999
  44 2.26 23
  45 5.77 58
  46 2.8 28
  47 4.64 46
  57 1.34 13
  58 3 30
  59 2.67 27
  60 1.38 14
  61 4.8 48
  62 2.5 25
  104 29.49 295
  105 1.32 13
  106 1.28 13
//

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