ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010866
RECORD_TITLE: DIETHYL HYDROXYBUTANEDIOATE; 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$NAME: DIETHYL HYDROXYBUTANEDIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₅
CH$EXACT_MASS: 190.08412
CH$SMILES: CCOC(=O)CC(O)C(=O)OCC
CH$IUPAC: InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
CH$LINK: INCHIKEY VKNUORWMCINMRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7048081

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$SPLASH: splash10-00vl-9200000000-0e2b63fa1358ecc4727d
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 4.9 49
  19 4.7 47
  26 3.2 32
  27 26.3 263
  29 61.1 611
  30 1.8 18
  31 5.4 54
  42 8.2 82
  43 47 470
  44 19.6 196
  45 14.9 149
  47 10.9 109
  55 3.9 39
  60 5.2 52
  61 1.4 14
  69 1 10
  71 99.99 999
  72 7.1 71
  73 2.3 23
  75 17.9 179
  87 1 10
  88 5.7 57
  89 37.8 378
  90 2 20
  100 1.3 13
  116 3.8 38
  117 86.5 865
  118 8.4 84
  127 3.8 38
  144 2.2 22
  145 8.7 87
//