ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005817
RECORD_TITLE: DINONYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DINONYL PHTHALATE
CH$NAME: PHTHALIC ACID DINONYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₄₂O₄
CH$EXACT_MASS: 418.30831
CH$SMILES: c(c1C(=O)OCCCCCCCCC)(cccc1)C(=O)OCCCCCCCCC
CH$IUPAC: InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
CH$LINK: INCHIKEY DROMNWUQASBTFM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047966

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-3930000000-1510b1d88b3e3f359186
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  57 28.25 283
  58 1.14 11
  69 3.44 34
  70 12.6 126
  71 30.14 301
  72 1.67 17
  83 2.44 24
  84 1.6 16
  98 1.21 12
  111 11.19 112
  112 1.05 11
  126 4.05 41
  127 33.96 340
  128 3.35 34
  149 99.99 999
  150 10.13 101
  151 1.07 11
  159 5.08 51
  167 13.12 131
  168 1.31 13
  174 9.55 96
  175 1.31 13
  176 3.9 39
  205 3.06 31
  275 8.43 84
  276 5.98 60
  277 1.27 13
  293 43.23 432
  294 8.52 85
  295 1.05 11
  320 2.31 23
  362 3.56 36
  363 1.02 10
  418 0.29 3
//