ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008285
RECORD_TITLE: DIMETHYL GLUTACONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
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$LINK: CAS 5164-76-1
CH$LINK: INCHIKEY SKCGFFOFYXLNCG-ONEGZZNKSA-N

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0690-9200000000-c655d60149afc91458c7
PK$NUM_PEAK: 57
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
  30 1.79 18
  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
  44 0.71 7
  45 9.68 97
  48 1.44 14
  49 0.83 8
  53 7.32 73
  54 4.9 49
  55 27.72 277
  56 3.19 32
  57 1.69 17
  58 0.97 10
  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
  74 1.11 11
  77 2.03 20
  81 1.56 16
  82 4.8 48
  83 10.07 101
  84 1.27 13
  85 1.83 18
  87 1.03 10
  95 3.81 38
  98 5.59 56
  99 49.59 496
  100 4.42 44
  101 2.39 24
  113 18.07 181
  114 1.42 14
  115 0.94 9
  126 45.58 456
  127 65.27 653
  128 5.81 58
  129 1.08 11
  130 8.23 82
  143 5.64 56
  158 7.66 77
  159 0.74 7
//