ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004258
RECORD_TITLE: METHYLSUCCINIC 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$NAME: METHYLSUCCINIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₄
CH$EXACT_MASS: 160.07356
CH$SMILES: COC(=O)CC(C)C(=O)OC
CH$IUPAC: InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
CH$LINK: CAS 1604-11-1
CH$LINK: INCHIKEY NFOQJNGQQXICBY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10870892

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$SPLASH: splash10-0udi-9800000000-21e8fac0fe6075bb4367
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  37 0.22 2
  38 0.8 8
  39 9.6 96
  40 0.8 8
  41 34.4 344
  42 31.2 312
  43 1.1 11
  47 1.2 12
  53 1.6 16
  55 24.8 248
  56 0.55 6
  57 2.8 28
  58 5.5 55
  60 10.4 104
  61 0.1 1
  68 2.4 24
  69 66.9 669
  70 5.3 53
  71 0.34 3
  72 6.7 67
  73 2.8 28
  74 2.2 22
  78 0.14 1
  82 1 10
  85 6.3 63
  87 60.7 607
  88 0.34 3
  91 0.8 8
  99 6.3 63
  100 90.5 905
  101 99.99 999
  102 6.1 61
  113 3.4 34
  115 3.6 36
  127 0.08 1
  128 24.6 246
  129 39.2 392
  130 13.1 131
  131 1.4 14
//