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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008307

DIMETHYL GLUTARATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008307
RECORD_TITLE: DIMETHYL GLUTARATE; 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$NAME: DIMETHYL GLUTARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O4
CH$EXACT_MASS: 160.07356
CH$SMILES: COC(=O)CCCC(=O)OC
CH$IUPAC: InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY XTDYIOOONNVFMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3025122

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$SPLASH: splash10-0pdi-9400000000-bd4cde216ce41f89b1d0
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  14 0.95 10
  15 48.94 489
  16 0.43 4
  18 0.32 3
  26 0.86 9
  27 7.8 78
  28 3.9 39
  29 11.81 118
  30 0.86 9
  31 3.36 34
  32 0.19 2
  34 0.28 3
  35 1.49 15
  38 0.59 6
  39 8.66 87
  40 2.05 21
  41 21.87 219
  42 24.18 242
  43 18.58 186
  44 1.36 14
  45 3.61 36
  47 0.15 2
  49 2.05 21
  53 0.26 3
  54 0.24 2
  55 41.07 411
  56 3.48 35
  57 0.83 8
  58 8.14 81
  59 99.99 999
  60 3.16 32
  61 0.38 4
  68 1.84 18
  69 4.71 47
  70 2.18 22
  71 0.73 7
  72 4.4 44
  73 1.28 13
  74 9.78 98
  75 0.62 6
  79 2.07 21
  83 0.6 6
  84 0.12 1
  85 3.51 35
  86 0.14 1
  87 16.41 164
  88 1.71 17
  89 0.2 2
  95 0.51 5
  96 0.45 5
  97 8.07 81
  98 1.03 10
  99 1.52 15
  100 53.98 540
  101 35.15 352
  102 2.46 25
  103 0.16 2
  112 0.13 1
  113 0.17 2
  114 0.59 6
  115 0.49 5
  116 0.1 1
  126 0.3 3
  127 0.52 5
  128 30.57 306
  129 53.18 532
  130 3.94 39
  131 0.49 5
  142 0.18 2
  143 0.34 3
//

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