MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002595
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002595
RECORD_TITLE: FENCHYL ALCOHOL (OD); 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$NAME: FENCHYL ALCOHOL (OD)
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-(2H)OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: [2H]OC(C(C)(C)1)C(C)(C2)CC(C2)1
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/i11D
CH$LINK: INCHIKEY
IAIHUHQCLTYTSF-WORMITQPSA-N
CH$LINK: PUBCHEM
CID:101624358
AC$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-9100000000-2391ca66f3cd432bb0a2
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
27 10.38 104
28 3.89 39
29 7.88 79
30 3.25 33
31 1.22 12
39 12.03 120
40 3.99 40
41 27.58 276
42 8.3 83
43 25.5 255
44 7.24 72
45 1.54 15
46 2.72 27
51 2.13 21
52 1.6 16
53 7.77 78
54 3.67 37
55 14.05 141
56 7.45 75
57 3.09 31
58 9.69 97
59 2.29 23
65 2.29 23
66 1.97 20
67 15.12 151
68 4.53 45
69 21.99 220
70 4.79 48
71 2.45 25
72 25.55 256
73 20.66 207
74 2.66 27
77 3.3 33
78 2.13 21
79 6.02 60
80 74.38 744
81 99.99 999
82 21.61 216
83 11.55 116
84 15.49 155
85 7.35 74
86 3.78 38
91 2.18 22
92 2.08 21
93 5.38 54
94 11.39 114
95 5.64 56
96 4.53 45
97 3.41 34
98 3.25 33
99 2.61 26
100 1.6 16
106 1.01 10
107 9.37 94
108 3.35 34
109 2.4 24
110 1.86 19
111 1.92 19
112 12.72 127
113 1.54 15
121 1.01 10
122 10.54 105
123 6.12 61
124 1.01 10
125 2.13 21
137 4.26 43
140 3.73 37
155 4.42 44
//