MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009165

S-PROPYL THIOACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009165
RECORD_TITLE: S-PROPYL 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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//