MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000908

THYMOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000908
RECORD_TITLE: THYMOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KAMEOKA H, DEPT. OF APPLIED CHEMISTRY, FAC. OF SCI. AND ENGINEERING, KINKI UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: THYMOL
CH$NAME: 2-ISOPROPYL-5-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(C)c(c1)c(O)cc(C)c1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
CH$LINK: INCHIKEY MGSRCZKZVOBKFT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6034972

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AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-000i-0900000000-333dc57384e65e3b4cfa
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41 2 20
  77 2 20
  79 1.2 12
  91 1.24 12
  105 1.2 12
  107 4 40
  115 7.6 76
  117 0.72 7
  121 1.2 12
  135 99.99 999
  136 8 80
  150 2.8 28
  151 3.2 32
//