MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005222
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005222
RECORD_TITLE: MENTHOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: MENTHOL
CH$NAME: 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: CC(C1)CC(O)C(C1)C(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
CH$LINK: INCHIKEY
NOOLISFMXDJSKH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8029650
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-000i-3900000000-081c83125641df212ef8
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
80 2 20
81 16.16 162
83 18.57 186
84 1.42 14
95 5.5 55
96 2.31 23
97 1.85 19
109 1 10
111 0.81 8
123 1.65 17
125 1.01 10
137 4.13 41
138 9.2 92
139 99.99 999
140 13.5 135
155 1.19 12
//