ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003370
RECORD_TITLE: ETHOXYCARBONYLMETHYL ETHYL PHTHALATE; 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$NAME: ETHOXYCARBONYLMETHYL ETHYL PHTHALATE
CH$NAME: ETHYL PHTHALYL ETHYL GLYCOLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆O₆
CH$EXACT_MASS: 280.09469
CH$SMILES: CCOC(=O)COC(=O)c(c1)c(ccc1)C(=O)OCC
CH$IUPAC: InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3
CH$LINK: INCHIKEY PZBLUWVMZMXIKZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024100

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$SPLASH: splash10-002b-2900000000-bae7c7c2b10536d0f13b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  43 2.6 26
  45 2.1 21
  50 7.1 71
  51 2.1 21
  58 3.9 39
  65 8.6 86
  66 4.1 41
  75 0.22 2
  76 13.4 134
  77 4.8 48
  87 3.9 39
  88 0.76 8
  93 6.9 69
  104 13.5 135
  105 9.6 96
  121 0.6 6
  132 4.7 47
  149 99.99 999
  150 8.2 82
  163 0.21 2
  176 10.4 104
  177 42.2 422
  178 4.9 49
  235 2.94 29
  236 5.2 52
  280 9.2 92
//