MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009721
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009721
RECORD_TITLE: NORBORNEOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: NORBORNEOL
CH$NAME: ENDO-BICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O
CH$EXACT_MASS: 112.08882
CH$SMILES: OC(C1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
CH$LINK: INCHIKEY
ZQTYQMYDIHMKQB-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-014l-9000000000-6a79c1d2c752eb15ae65
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 1.92 19
29 5.13 51
31 1.25 13
39 1.88 19
40 2.27 23
41 13.81 138
42 4.41 44
43 8.68 87
44 4.04 40
45 5.54 55
53 6.93 69
54 3.36 34
55 15.51 155
56 9.06 91
57 23.83 238
58 3.34 33
65 1.83 18
66 67.8 678
67 66.47 665
68 58.44 584
69 7.11 71
70 12.75 128
71 5.47 55
77 3.37 34
78 1.54 15
79 81.62 816
80 6.18 62
81 11.84 118
82 1.57 16
83 17.3 173
84 5.15 52
91 1.5 15
93 6.19 62
94 99.99 999
95 8.68 87
97 6.03 60
111 1.2 12
112 1.83 18
//
system version 2.2.6-SNAPSHOT