MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002594
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002594
RECORD_TITLE: FENCHYL ALCOHOL; EI-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$NAME: FENCHYL ALCOHOL
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: OC(C(C)(C)1)C(C)(C2)CC(C2)1
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
CH$LINK: INCHIKEY
IAIHUHQCLTYTSF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1041970
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-001i-9000000000-03610ff0a989a69cf478
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
27 13.31 133
28 9.28 93
29 9.42 94
31 2.33 23
39 14.28 143
40 2.87 29
41 33.07 331
42 2.87 29
43 26.71 267
44 1.55 16
45 3.16 32
51 2.38 24
52 1.6 16
53 8.94 89
54 2.57 26
55 16.03 160
56 4.37 44
57 10.44 104
58 1.02 10
59 1.75 18
65 2.96 30
66 1.55 16
67 17.14 171
68 3.4 34
69 23.26 233
70 3.64 36
71 23.8 238
72 23.89 239
73 3.35 34
77 4.47 45
78 1.12 11
79 7.38 74
80 72.81 728
81 99.99 999
82 20.15 202
83 12.29 123
84 15.44 154
85 4.13 41
86 1.26 13
91 3.21 32
92 3.45 35
93 13.16 132
94 2.57 26
95 5.58 56
96 4.37 44
97 4.32 43
98 4.18 42
99 1.94 19
105 1.36 14
107 10.34 103
108 1.85 19
109 2.19 22
110 1.85 19
111 14.33 143
112 1.46 15
123 5.34 53
125 2.57 26
136 3.84 38
139 3.89 39
154 4.32 43
//