ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009014
RECORD_TITLE: DIETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 141-28-6
CH$LINK: INCHIKEY VIZORQUEIQEFRT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021999

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0bvi-7900000000-4940c26e9caf839d0016
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 13.51 135
  28 3.59 36
  29 36.28 363
  30 1.39 14
  31 4.69 47
  39 3.81 38
  41 11.74 117
  42 9.85 99
  43 16.92 169
  45 12.99 130
  46 1.29 13
  53 1.9 19
  54 3.36 34
  55 49.1 491
  56 13.42 134
  57 3.56 36
  58 1.35 14
  59 6.86 69
  60 14.34 143
  61 6.73 67
  68 2.34 23
  69 4.84 48
  70 4.67 47
  73 24.77 248
  74 3.14 31
  82 2.14 21
  83 21.9 219
  84 5.17 52
  85 1.9 19
  86 1.25 13
  87 10.02 100
  88 18.01 180
  99 3.76 38
  100 6.32 63
  101 33.47 335
  102 3.11 31
  110 3.62 36
  111 99.99 999
  112 6.62 66
  114 1.5 15
  115 53.86 539
  116 2.81 28
  127 1.13 11
  128 61.19 612
  129 17.8 178
  130 3.08 31
  156 9.35 94
  157 89.53 895
  158 5.99 60
//