MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010767
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010767
RECORD_TITLE: ENDO-NORBORNEOL; 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$NAME: ENDO-NORBORNEOL
CH$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$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7-/m1/s1
CH$LINK: INCHIKEY
ZQTYQMYDIHMKQB-DSYKOEDSSA-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$SPLASH: splash10-002f-9000000000-aa0171a69706c44c745a
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
28 1.6 16
29 2.3 23
40 1.5 15
42 0.26 3
43 4.5 45
44 3.4 34
45 4.9 49
53 0.41 4
54 2.5 25
55 11.3 113
56 8.5 85
57 1.77 18
58 3.1 31
65 1 10
66 47.9 479
67 4.4 44
68 4.8 48
69 5.2 52
70 9.8 98
71 0.46 5
77 2.4 24
78 1 10
79 59.7 597
80 0.51 5
81 5.2 52
82 1.5 15
83 11.3 113
84 0.48 5
91 1 10
93 4.5 45
94 99.99 999
95 0.83 8
97 4.7 47
111 1.1 11
112 4.1 41
//