MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006932
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006932
RECORD_TITLE: MENTHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: MENTHOL
CH$NAME: 1ALPHA,2BETA,5ALPHA-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXAN-1-OL
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-80B
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: splash10-05gm-9100000000-8a126fba3de41f12e6be
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
15 1.21 12
27 21 210
28 2.24 22
29 18.49 185
31 4.06 41
39 17.64 176
40 2.77 28
41 54.65 547
42 8.53 85
43 35.26 353
44 6.18 62
45 2.37 24
51 1.58 16
53 11.25 113
54 4.33 43
55 43.61 436
56 19.8 198
57 30.37 304
58 2.76 28
59 1.65 17
65 1.86 19
67 25.2 252
68 12.57 126
69 32.49 325
70 12.86 129
71 99.99 999
72 4.49 45
73 1.24 12
77 2.34 23
79 2.99 30
80 9.36 94
81 73.52 735
82 35.18 352
83 13.38 134
84 2.42 24
85 9.34 93
86 3.5 35
91 1.1 11
93 1.98 20
94 3.75 38
95 68.53 685
96 27.27 273
97 3.89 39
99 3.11 31
109 10.45 105
110 7.33 73
111 1.68 17
112 1.55 16
113 1.23 12
123 31.13 311
124 2.54 25
138 26.13 261
139 2.54 25
//