ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002893
RECORD_TITLE: METHYL ETHYL SUCCINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL ETHYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₄
CH$EXACT_MASS: 160.07356
CH$SMILES: CCOC(=O)CCC(=O)OC
CH$IUPAC: InChI=1S/C7H12O4/c1-3-11-7(9)5-4-6(8)10-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY HXXRQBBSGZDQNP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7074327

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0690-9700000000-405c010d48cba4a51b78
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 18.76 188
  26 2.47 25
  27 15.08 151
  28 13.26 133
  29 33.79 338
  31 2.71 27
  41 2.01 20
  42 2.94 29
  43 4.4 44
  45 8.45 85
  55 41.36 414
  56 9.01 90
  57 10.33 103
  59 19.55 196
  73 7.31 73
  87 10.92 109
  88 10.83 108
  100 2.68 27
  101 38.35 384
  114 7.73 77
  115 99.99 999
  116 5.28 53
  128 9.73 97
  129 14.02 140
  133 3.37 34
//