ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001764
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DECYL METHYLESTER; CI-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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DECYL METHYLESTER
CH$NAME: METHYLDECYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₄
CH$EXACT_MASS: 320.19876
CH$SMILES: CCCCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C19H28O4/c1-3-4-5-6-7-8-9-12-15-23-19(21)17-14-11-10-13-16(17)18(20)22-2/h10-11,13-14H,3-9,12,15H2,1-2H3
CH$LINK: INCHIKEY OXRWHMFJAPZSRT-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03ka-1903000000-1729095167ab4ec92339
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  61 0.1 1
  63 0.2 2
  65 0.29 3
  66 0.3 3
  67 0.87 9
  68 0.42 4
  69 2.34 23
  70 1.02 10
  71 4.53 45
  72 0.23 2
  77 0.11 1
  78 0.38 4
  79 0.77 8
  81 0.11 1
  82 1.2 12
  83 5.2 52
  84 0.67 7
  85 4.38 44
  86 0.45 5
  91 0.33 3
  92 0.72 7
  97 1.74 17
  98 0.38 4
  99 1.48 15
  104 0.3 3
  105 1.4 14
  107 0.31 3
  109 0.2 2
  111 0.6 6
  112 0.25 3
  113 0.46 5
  121 0.44 4
  123 1.15 12
  127 0.16 2
  133 1.9 19
  135 1.87 19
  136 0.51 5
  137 1.68 17
  139 0.62 6
  140 1.21 12
  141 3.18 32
  142 0.33 3
  145 0.18 2
  147 0.78 8
  149 58.5 585
  150 5.24 52
  151 1.1 11
  157 0.46 5
  161 0.29 3
  163 99.99 999
  164 11.89 119
  165 4.1 41
  166 0.29 3
  175 0.31 3
  177 0.49 5
  179 0.11 1
  181 7.11 71
  182 0.63 6
  189 1.11 11
  191 0.22 2
  195 0.28 3
  205 0.13 1
  221 0.59 6
  223 0.16 2
  261 0.36 4
  263 0.31 3
  289 6.24 62
  290 1.16 12
  291 0.5 5
  293 0.78 8
  319 0.56 6
  321 65.55 656
  322 13.59 136
  323 1.93 19
  324 0.16 2
  361 0.24 2
//