MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011875
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011875
RECORD_TITLE: BICYCLO(4.3.0)NONAN-8-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$NAME: BICYCLO(4.3.0)NONAN-8-OL (7-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O
CH$EXACT_MASS: 140.12012
CH$SMILES: OC(C1)C([2H])C(C2)C(CCC2)1
CH$IUPAC: InChI=1S/C9H16O/c10-9-5-7-3-1-2-4-8(7)6-9/h7-10H,1-6H2/i5D
CH$LINK: INCHIKEY
FNTAZLZSKBIIIW-UICOGKGYSA-N
AC$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: splash10-001i-9100000000-b36640e3d2a43b8b896c
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
21 1 10
22 1.3 13
24 1.1 11
25 1.1 11
26 2.9 29
27 23.7 237
28 10.3 103
29 24.7 247
30 5.9 59
31 34.9 349
32 4.3 43
33 1.1 11
38 1.8 18
39 20 200
40 7.6 76
41 29.4 294
42 11.1 111
43 8.5 85
44 5.3 53
45 14.9 149
46 3 30
50 1.3 13
51 3.9 39
52 3.3 33
53 10 100
54 18.4 184
55 22.3 223
56 8.3 83
57 3.9 39
58 10.5 105
59 15.5 155
60 1.8 18
61 1.8 18
62 1.1 11
63 1.5 15
64 1.5 15
65 4 40
66 4.9 49
67 31.5 315
68 20 200
69 6.5 65
70 3.6 36
71 12.5 125
72 3.1 31
73 2.5 25
74 9.6 96
75 1 10
76 1.9 19
77 4.1 41
78 3.1 31
79 10.8 108
80 25.8 258
81 99.99 999
82 16.8 168
83 3.4 34
84 12.3 123
85 3.6 36
91 2 20
92 2.4 24
93 9.9 99
94 32.4 324
95 19.4 194
96 17.4 174
97 3.1 31
98 3.1 31
99 1.9 19
100 1.1 11
101 1.5 15
107 1.9 19
108 6.3 63
109 3 30
110 1.3 13
111 1.6 16
112 1.6 16
122 3.1 31
123 64.5 645
124 7.4 74
125 1.5 15
//