ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001832
RECORD_TITLE: PENTANEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PENTANEDIOIC ACID DIMETHYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0pdi-9500000000-01e4dd415a934e49db00
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 26.73 267
  27 7.66 77
  28 2.71 27
  29 8.05 81
  31 3.04 30
  39 9.64 96
  40 2.18 22
  41 21.58 216
  42 24.09 241
  43 16.44 164
  44 1.32 13
  45 3.3 33
  49 1.32 13
  55 43.56 436
  56 3.17 32
  58 7.66 77
  59 99.99 999
  60 2.77 28
  68 2.51 25
  69 5.61 56
  70 2.57 26
  71 1.19 12
  72 5.87 59
  73 1.19 12
  74 10.76 108
  85 5.21 52
  87 21.32 213
  88 1.72 17
  97 8.71 87
  99 1.45 15
  100 73.93 739
  101 52.41 524
  102 3.1 31
  111 1 10
  114 1.19 12
  115 1.06 11
  128 27.52 275
  129 52.48 525
  130 3.56 36
//