MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000555
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000555
RECORD_TITLE: EXO-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$NAME: EXO-NORBORNEOL
CH$NAME: ISONORBORNEOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O
CH$EXACT_MASS: 112.08882
CH$SMILES: OC(C1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/m1/s1
CH$LINK: INCHIKEY
ZQTYQMYDIHMKQB-VQVTYTSYSA-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$SPLASH: splash10-014l-9000000000-7cd05467dba26eb028ec
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
29 2.46 25
39 1.04 10
40 6.75 68
41 2.54 25
42 5.15 52
43 2.38 24
44 3.86 39
52 4.07 41
53 2.12 21
54 10.46 105
55 7.33 73
56 15.31 153
58 4.7 47
66 46.98 470
67 43.64 436
68 46.92 469
69 6.19 62
70 10.48 105
71 4.74 47
77 1.47 15
79 59.73 597
80 4.48 45
81 10.06 101
82 1.27 13
83 16.13 161
84 6.44 64
93 4.11 41
94 99.99 999
95 8.98 90
97 6.16 62
111 1.39 14
112 2.28 23
//