ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007673
RECORD_TITLE: DIETHYL HEXANEDIOATE; 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$NAME: DIETHYL HEXANEDIOATE
CH$NAME: ADIPIC ACID DIETHYL ESTER
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-06vi-9400000000-0d2a4b49e980474cc78b
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 3.93 39
  26 3.6 36
  27 34.27 343
  28 22.7 227
  29 99.99 999
  30 3.37 34
  31 5.84 58
  39 10.11 101
  41 26.52 265
  42 18.65 187
  43 34.38 344
  44 2.92 29
  45 17.08 171
  53 3.37 34
  54 5.62 56
  55 82.25 823
  56 22.36 224
  57 6.74 67
  59 12.47 125
  60 17.98 180
  61 11.24 112
  68 3.37 34
  69 8.54 85
  70 10 100
  73 39.78 398
  74 4.49 45
  82 4.38 44
  83 31.57 316
  84 6.74 67
  87 10.11 101
  88 15.28 153
  99 4.49 45
  100 8.2 82
  101 32.58 326
  102 3.37 34
  110 3.37 34
  111 95.51 955
  112 7.75 78
  115 39.66 397
  128 46.29 463
  129 17.42 174
  156 4.27 43
  157 51.35 514
  158 4.49 45
//