MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007647
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007647
RECORD_TITLE: EXO-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$NAME: EXO-NORBORNEOL
CH$NAME: EXO-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-VQVTYTSYSA-N
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9000000000-cf95a78fd6009a0aca9b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
42 1.17 12
43 1.95 20
44 1.56 16
45 3.59 36
54 1.33 13
55 3.67 37
56 5.31 53
57 8.6 86
58 3.36 34
66 43.14 431
67 20.08 201
68 37.12 371
69 3.13 31
70 7.38 74
71 4.3 43
78 1.17 12
79 44.31 443
80 4.14 41
81 6.49 65
82 1.56 16
83 7.81 78
84 4.69 47
93 2.58 26
94 99.99 999
95 8.6 86
96 1.09 11
97 5.31 53
111 1.41 14
112 3.13 31
//