MassBank Record: JP009164

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S-ETHYL THIOACETATE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP009164
RECORD_TITLE: S-ETHYL THIOACETATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //