MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001811
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001811
RECORD_TITLE: CYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXANOL
CH$NAME: CYCLOHEXYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: OC(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
CH$LINK: INCHIKEY
HPXRVTGHNJAIIH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021894
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9000000000-6f29b4ae6194ec13d2c2
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 8.91 89
28 3.24 32
29 9.88 99
31 4.78 48
39 9.96 100
40 1.62 16
41 20.65 207
42 7.29 73
43 10.12 101
44 22.27 223
45 3.24 32
51 1.3 13
53 3.16 32
54 10.36 104
55 9.39 94
56 12.96 130
57 99.99 999
58 7.94 79
67 24.94 249
68 1.54 15
69 1.78 18
70 1.21 12
71 13.12 131
72 6.8 68
79 1.3 13
81 4.53 45
82 46.96 470
83 4.29 43
99 1.05 11
100 2.43 24
//