ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003580
RECORD_TITLE: DI-ISO-PROPYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DI-ISO-PROPYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₄
CH$EXACT_MASS: 250.12051
CH$SMILES: CC(C)OC(=O)c(c1)c(ccc1)C(=O)OC(C)C
CH$IUPAC: InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
CH$LINK: INCHIKEY QWDBCIAVABMJPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2040731

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-4900000000-5f7206097fd6930d6c4c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 7.95 80
  39 5.94 59
  41 11.08 111
  42 2.44 24
  43 18.48 185
  45 2.15 22
  50 4.55 46
  59 4.82 48
  65 7.33 73
  76 9.18 92
  77 2.95 30
  93 4.92 49
  104 7.94 79
  105 7.35 74
  121 3.82 38
  122 7.14 71
  149 99.99 999
  150 11.97 120
  167 4.06 41
  191 4.61 46
  192 5.51 55
  209 7.01 70
//