MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000908
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
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$LINK: COMPTOX
DTXSID6034972
AC$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-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
//
system version 2.2.8-SNAPSHOT