MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011874
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011874
RECORD_TITLE: BICYCLO(4.3.0)NONAN-7-OL (7-D); 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$NAME: BICYCLO(4.3.0)NONAN-7-OL (7-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O
CH$EXACT_MASS: 140.12012
CH$SMILES: [2H]C(O)(C1)C(C2)C(CCC2)C1
CH$IUPAC: InChI=1S/C9H16O/c10-9-6-5-7-3-1-2-4-8(7)9/h7-10H,1-6H2/i9D
CH$LINK: INCHIKEY
WHHUTBUNHHDROB-QOWOAITPSA-N
AC$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: splash10-01c3-9100000000-8b3a20ce567dc8b92a38
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
22 1.2 12
26 2 20
27 23 230
28 10.1 101
29 15.5 155
30 7.8 78
31 3.2 32
32 4.7 47
38 2 20
39 26.4 264
40 9 90
41 43.1 431
42 14.3 143
43 7.7 77
44 4 40
45 6.4 64
46 2.7 27
50 1.6 16
51 4.6 46
52 4.1 41
53 12.8 128
54 29.9 299
55 41.5 415
56 12.6 126
57 5.6 56
58 18.2 182
59 23 230
60 2.8 28
62 1 10
63 1.3 13
64 1.2 12
65 4.5 45
66 8.7 87
67 65.5 655
68 35.8 358
69 8.6 86
70 3.1 31
71 4.3 43
72 2.4 24
73 1.2 12
75 1.3 13
76 1.1 11
77 5.5 55
78 5.1 51
79 15.9 159
80 23.3 233
81 99.99 999
82 25 250
83 20.2 202
84 5.6 56
85 2.4 24
86 1.5 15
87 1 10
89 1.5 15
91 2.8 28
92 2.9 29
93 10.9 109
94 30.5 305
95 23.1 231
96 43.7 437
97 23.5 235
98 4.5 45
99 1.8 18
107 3.8 38
108 5.4 54
109 4.2 42
110 1.6 16
111 1.6 16
112 5.4 54
113 4.5 45
114 1 10
121 1.2 12
122 4.6 46
123 80.6 806
124 9.2 92
126 1.4 14
141 3.7 37
//