ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003384
RECORD_TITLE: DIETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: CCOC(=O)CCCCC(=O)OCC
CH$IUPAC: InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY VIZORQUEIQEFRT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021999

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0r29-5900000000-bde74dd7bba39ad4bcde
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  44 23 230
  46 12.7 127
  53 3.3 33
  54 62.3 623
  55 13 130
  56 4.5 45
  58 11 110
  59 1.52 15
  60 7.7 77
  68 2.6 26
  69 4.5 45
  70 0.68 7
  73 25.3 253
  74 3.8 38
  82 2.5 25
  83 2.11 21
  84 6.3 63
  87 8.9 89
  88 14.8 148
  99 0.29 3
  100 6.7 67
  101 27.7 277
  102 3.6 36
  110 0.34 3
  111 66.7 667
  112 6.9 69
  114 5 50
  115 4.83 48
  116 3.4 34
  128 60.2 602
  129 14.2 142
  130 0.25 3
  143 7.1 71
  156 18.4 184
  157 99.99 999
  158 0.92 9
  202 4.7 47
  203 12.8 128
//