MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001704

1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL ESTER; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001704
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL ESTER; 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

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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

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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

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PK$SPLASH: splash10-03dj-0967000000-f4e2c044e1e756ee43cb
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  67 1.38 14
  71 4.14 41
  83 2.33 23
  85 3.16 32
  113 1.47 15
  149 99.99 999
  150 8.82 88
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  279 2.67 27
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//