ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001753
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER
CH$NAME: DIPROPYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₄
CH$EXACT_MASS: 250.12051
CH$SMILES: CCCOC(=O)c(c1)c(ccc1)C(=O)OCCC
CH$IUPAC: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
CH$LINK: INCHIKEY MQHNKCZKNAJROC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5031133

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$SPLASH: splash10-0002-1910000000-69554547fcc8a17eec8b
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 2.29 23
  29 0.27 3
  39 0.27 3
  41 5.52 55
  42 2.66 27
  43 16.94 169
  44 0.55 6
  59 1.35 14
  65 2.34 23
  76 0.67 7
  77 1.07 11
  78 0.18 2
  79 0.22 2
  91 0.2 2
  93 3.69 37
  94 0.29 3
  98 0.46 5
  104 4.49 45
  105 8.2 82
  106 2.53 25
  107 0.44 4
  116 2.67 27
  117 0.33 3
  118 0.11 1
  119 0.43 4
  120 0.12 1
  121 5.19 52
  122 7.02 70
  123 2.84 28
  124 0.2 2
  131 0.16 2
  132 1.4 14
  133 0.44 4
  135 3.11 31
  136 0.3 3
  146 5.07 51
  147 1.06 11
  149 99.99 999
  150 22.01 220
  151 2.72 27
  152 0.14 1
  162 0.18 2
  163 0.65 7
  164 0.98 10
  165 0.21 2
  167 1.65 17
  168 0.13 1
  175 1.01 10
  189 0.2 2
  191 32.82 328
  192 4.74 47
  193 0.62 6
  205 0.12 1
  209 21.39 214
  210 2.48 25
  211 0.23 2
  250 0.89 9
  251 9.09 91
  252 1.27 13
  253 0.14 1
//