MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000554
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000554
RECORD_TITLE: ENDO-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$NAME: ENDO-NORBORNEOL
CH$NAME: NORBORNEOL
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-DSYKOEDSSA-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$SPLASH: splash10-014l-9000000000-cd3b71190a64c519ad64
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
39 1.06 11
40 6.36 64
41 2.3 23
42 4.7 47
43 2.5 25
44 3.37 34
52 3.98 40
53 2.15 22
54 8.87 89
55 6.03 60
56 14.76 148
58 2.48 25
65 1.04 10
66 45.3 453
67 42.13 421
68 44.61 446
69 5.64 56
70 9.47 95
71 4.3 43
77 2.26 23
78 1.02 10
79 57.66 577
80 4.98 50
81 9.78 98
82 1.23 12
83 13.62 136
84 4.07 41
91 1.04 10
93 4.68 47
94 99.99 999
95 8.27 83
97 5.41 54
111 1.11 11
112 2.77 28
//