MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009842

4-HEXYLRESORCINOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009842
RECORD_TITLE: 4-HEXYLRESORCINOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 4-HEXYLRESORCINOL
CH$NAME: 4-HEXYL-1,3-DIHYDROXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₂
CH$EXACT_MASS: 194.13068
CH$SMILES: CCCCCCc(c1)c(O)cc(O)c1
CH$IUPAC: InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
CH$LINK: COMPTOX DTXSID1020699
CH$LINK: INCHIKEY WFJIVOKAWHGMBH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3610

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00di-0900000000-5e9f9f102fe32a7d43f9
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41 1.9 19
  43 1.4 14
  55 1.9 19
  65 0.12 1
  67 1.9 19
  69 1.4 14
  77 1.5 15
  95 0.18 2
  110 1 10
  123 99.99 999
  124 7.9 79
  147 0.52 5
  149 1.1 11
  194 14.3 143
  195 1.7 17
//