MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010793
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
//