ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004220
RECORD_TITLE: METHYLMALONIC ACID DIMETHYL 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$NAME: METHYLMALONIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₄
CH$EXACT_MASS: 146.05791
CH$SMILES: COC(=O)C(C)C(=O)OC
CH$IUPAC: InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3
CH$LINK: CAS 609-02-9
CH$LINK: COMPTOX DTXSID5060564
CH$LINK: INCHIKEY LRBPFPZTIZSOGG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:69104

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$SPLASH: splash10-0aor-9400000000-672b97afb0daab281778
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  40 12.2 122
  41 1.3 13
  43 23 230
  44 0.13 1
  45 3.7 37
  55 24.5 245
  56 21.4 214
  57 3.42 34
  58 1.7 17
  59 99.99 999
  60 2.6 26
  72 2.52 25
  73 1 10
  83 3.5 35
  86 1 10
  87 3.53 35
  88 4.8 48
  91 1.5 15
  101 8.5 85
  102 1.64 16
  114 23.9 239
  115 75.4 754
  116 3.5 35
  146 4.3 43
//