ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004215
RECORD_TITLE: 2-MERCAPTOPROPIONIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 2-MERCAPTOPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O2S
CH$EXACT_MASS: 120.02450
CH$SMILES: COC(=O)C(C)S
CH$IUPAC: InChI=1S/C4H8O2S/c1-3(7)4(5)6-2/h3,7H,1-2H3
CH$LINK: INCHIKEY SNWKNPMDQONHKK-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-03di-9000000000-21f1576f306e2ccac859
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  40 8.9 89
  55 7.5 75
  56 3.9 39
  58 0.28 3
  60 28.2 282
  61 99.99 999
  62 4.6 46
  63 0.42 4
  77 1.4 14
  88 18.9 189
  89 3.2 32
  120 3.46 35
  121 1.4 14
  122 1 10
//
