MassBank Record: JP009165

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

ACCESSION: JP009165
RECORD_TITLE: S-PROPYL 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$NAME: S-PROPYL THIOACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H10OS CH$EXACT_MASS: 118.04524 CH$SMILES: CCCSC(C)=O CH$IUPAC: InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3 CH$LINK: INCHIKEY SBWFWBJCYMBZEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30177638
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$SPLASH: splash10-0006-9000000000-9d59c00678babcad2e23 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 15 3.56 36 27 6.71 67 29 1.2 12 39 5.68 57 41 8.46 85 42 6.84 68 43 99.99 999 44 2.1 21 45 5.43 54 46 2.4 24 47 5.75 58 58 1.46 15 59 1.55 16 61 1.13 11 74 3.58 36 75 2.48 25 76 3.39 34 77 3.17 32 118 11.82 118 //