ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004216
RECORD_TITLE: 2-METHYLTHIOPROPIONIC 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$NAME: 2-METHYLTHIOPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O2S
CH$EXACT_MASS: 134.04015
CH$SMILES: COC(=O)C(C)SC
CH$IUPAC: InChI=1S/C5H10O2S/c1-4(8-3)5(6)7-2/h4H,1-3H3
CH$LINK: INCHIKEY QMPSBIWJVUCDKV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40338319
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$SPLASH: splash10-004i-9100000000-f18428591ae4efd7debf
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  40 22.7 227
  44 1.7 17
  46 1.7 17
  47 2.09 21
  49 3.5 35
  55 5.9 59
  56 4.1 41
  57 0.47 5
  60 1.7 17
  75 99.99 999
  76 4.7 47
  77 0.53 5
  87 1.7 17
  88 25.7 257
  134 32.9 329
  135 1.1 11
//
