ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000909
RECORD_TITLE: CARVACROL; 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

CH$NAME: CARVACROL
CH$NAME: 5-ISOPROPYL-2-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(C)c(c1)cc(O)c(C)c1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
CH$LINK: INCHIKEY RECUKUPTGUEGMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6042074

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-1900000000-ef32f1d484b3c21ba134
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  41 2 20
  43 1.2 12
  74 4 40
  77 0.32 3
  79 3.6 36
  87 2.4 24
  91 16.4 164
  105 0.2 2
  107 8 80
  115 2.8 28
  117 6 60
  121 0.12 1
  135 99.99 999
  136 8 80
  150 35.6 356
  151 4 40
//