MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011973
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011973
RECORD_TITLE: BICYCLO(4.3.0)NONAN-8-OL (8-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$NAME: BICYCLO(4.3.0)NONAN-8-OL (8-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O
CH$EXACT_MASS: 140.12012
CH$SMILES: [2H]C(O)(C1)CC(C2)C(CCC2)1
CH$IUPAC: InChI=1S/C9H16O/c10-9-5-7-3-1-2-4-8(7)6-9/h7-10H,1-6H2/i9D
CH$LINK: INCHIKEY
FNTAZLZSKBIIIW-QOWOAITPSA-N
AC$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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-9200000000-7116a4f51761117c1b49
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
27 1.5 15
28 1.8 18
29 6.3 63
31 21.9 219
41 3.4 34
42 1.7 17
43 2.1 21
44 1.2 12
45 8.6 86
46 1.1 11
52 1.1 11
53 1.3 13
54 6.9 69
55 8.2 82
56 3.3 33
57 2.8 28
58 3.8 38
59 14.1 141
60 1.6 16
66 2.1 21
67 16.3 163
68 13.1 131
69 3.9 39
70 2 20
71 9.1 91
72 2.2 22
73 1.9 19
74 8.1 81
78 1.3 13
79 5.6 56
80 23.3 233
81 99.99 999
82 16.1 161
83 2.6 26
84 8.5 85
85 2.4 24
92 1 10
93 8.3 83
94 30.4 304
95 16.7 167
96 17.6 176
97 3.4 34
98 2.7 27
99 1.4 14
107 1.6 16
108 6.2 62
109 2.6 26
110 1.3 13
112 1.1 11
122 3.6 36
123 75.1 751
124 9.1 91
//