ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010793
RECORD_TITLE: THYMOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: THYMOL
CH$NAME: 5-METHYL-2-(1-METHYLETHYL)PHENOL
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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-2900000000-0bfe5d4a8168912cbcc8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  42 2.63 26
  51 3.31 33
  52 1.16 12
  53 1.89 19
  63 1.55 16
  65 2.95 30
  66 1.68 17
  67 1.7 17
  68 2.63 26
  74 1.05 11
  77 4.4 44
  78 1.61 16
  79 2.45 25
  91 10.65 107
  92 1.19 12
  102 1.21 12
  103 1.19 12
  105 2.9 29
  107 2.95 30
  115 7.07 71
  116 2.54 25
  117 8.02 80
  121 1.7 17
  133 1.57 16
  134 2 20
  135 99.99 999
  136 9.65 97
  145 1.27 13
  146 1.37 14
  148 1.07 11
  150 30.55 306
  151 3.31 33
//