ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003319
RECORD_TITLE: DIETHOXYETHYL 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$NAME: DIETHOXYETHYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₆
CH$EXACT_MASS: 310.14164
CH$SMILES: CCOCCOC(=O)c(c1)c(ccc1)C(=O)OCCOCC
CH$IUPAC: InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3
CH$LINK: INCHIKEY RMKYMNRQXYPJHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060542

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$SPLASH: splash10-00dj-9100000000-47f9c359eac6782f6ed9
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  43 17.3 173
  44 22.2 222
  45 91.4 914
  46 2.4 24
  50 4.5 45
  51 2.4 24
  58 15.9 159
  65 0.52 5
  66 3.3 33
  72 99.99 999
  73 93.9 939
  74 0.4 4
  75 2.2 22
  76 11.7 117
  77 3.9 39
  89 0.91 9
  90 1 10
  91 2.4 24
  93 4.5 45
  104 1.44 14
  105 6 60
  121 3.4 34
  122 1.2 12
  132 0.49 5
  133 5.1 51
  148 3.8 38
  149 35.5 355
  150 0.31 3
  163 1.6 16
  167 1 10
  176 10 100
  177 0.19 2
  193 11.4 114
  194 3.1 31
  221 9.4 94
  222 0.22 2
  237 1.2 12
  239 1.2 12
  265 1.8 18
  266 0.73 7
  267 1.2 12
//