ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003308
RECORD_TITLE: DIAMYL 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$NAME: DIAMYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₆O₄
CH$EXACT_MASS: 306.18311
CH$SMILES: CCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCC
CH$IUPAC: InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
CH$LINK: INCHIKEY IPKKHRVROFYTEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5031131

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$SPLASH: splash10-0002-5910000000-45caeb462fc4c9036ff6
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  43 22.1 221
  44 0.7 7
  45 2.2 22
  50 1.2 12
  54 8.2 82
  55 3.1 31
  56 6.9 69
  65 0.17 2
  69 1.7 17
  70 13.2 132
  71 8.4 84
  72 0.07 1
  76 2.2 22
  77 1.2 12
  93 1.7 17
  101 0.13 1
  104 2.2 22
  105 1.6 16
  121 1.5 15
  122 0.13 1
  123 0.8 8
  127 0.7 7
  142 0.7 7
  149 99.99 999
  150 9.3 93
  151 1.2 12
  167 1.6 16
  219 0.51 5
  220 1.2 12
  223 1.4 14
  237 11.9 119
  238 0.14 1
  306 1.3 13
  307 0.7 7
//