ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002928
RECORD_TITLE: DIMETHYL GLUTACONATE; 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$NAME: DIMETHYL GLUTACONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀O₄
CH$EXACT_MASS: 158.05791
CH$SMILES: COC(=O)CC=CC(=O)OC
CH$IUPAC: InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+
CH$LINK: INCHIKEY SKCGFFOFYXLNCG-ONEGZZNKSA-N

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$SPLASH: splash10-0690-9200000000-476c976ceffe8650e9a5
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  14 2.12 21
  15 92.9 929
  26 2.65 27
  27 9.67 97
  28 3.24 32
  29 23.05 231
  31 3.66 37
  37 2.72 27
  38 8.81 88
  39 49.74 497
  40 28.25 283
  41 35.55 356
  42 6.81 68
  43 5.05 51
  45 9.68 97
  53 7.32 73
  54 4.9 49
  55 27.72 277
  56 3.19 32
  59 99.99 999
  60 3.07 31
  67 9.68 97
  68 15.79 158
  69 40.64 406
  70 2.5 25
  71 18.51 185
  72 2.6 26
  77 2.03 20
  82 4.8 48
  83 10.07 101
  95 3.81 38
  98 5.59 56
  99 49.59 496
  100 4.42 44
  101 2.39 24
  113 18.07 181
  126 45.58 456
  127 65.27 653
  128 5.81 58
  130 8.23 82
  143 5.64 56
  158 7.66 77
//