ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001703
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₄O₄
CH$EXACT_MASS: 362.24571
CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCC
CH$IUPAC: InChI=1S/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
CH$LINK: INCHIKEY LZCTXAGBGKLUBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9069508

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$SPLASH: splash10-0002-7910000000-7b6caf0156770b1288d6
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  27 3.21 32
  29 7.38 74
  39 1.69 17
  41 12.82 128
  42 4.82 48
  43 25.54 255
  44 0.19 2
  50 0.32 3
  53 0.3 3
  54 0.8 8
  55 8.47 85
  56 5.94 59
  57 10.34 103
  58 0.41 4
  65 1.41 14
  67 0.71 7
  68 0.49 5
  69 3.82 38
  70 2.22 22
  71 5.42 54
  76 2.06 21
  77 0.7 7
  82 0.47 5
  83 1.65 17
  84 2.83 28
  85 2.93 29
  93 1.26 13
  97 0.34 3
  104 2.41 24
  105 1.65 17
  112 0.82 8
  113 0.66 7
  121 1.63 16
  122 1.27 13
  123 1.38 14
  132 0.44 4
  133 0.28 3
  147 0.18 2
  148 0.25 3
  149 99.99 999
  150 13.38 134
  151 1.36 14
  167 2.42 24
  168 0.12 1
  176 0.28 3
  233 2.26 23
  234 0.58 6
  251 6.1 61
  252 0.97 10
  261 1.06 11
  262 0.24 2
  279 3.42 34
  280 0.59 6
  362 0.27 3
  363 0.16 2
//