MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006564
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006564
RECORD_TITLE: CYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXANOL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9000000000-f39d1dfb175a6355d672
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.29 13
18 7.09 71
26 1.07 11
27 8.59 86
28 2.68 27
29 8.63 86
31 4.96 50
38 1.19 12
39 10.16 102
40 2.08 21
41 20.35 204
42 6.43 64
43 8.97 90
44 25.01 250
45 3.7 37
50 1.4 14
51 1.88 19
53 3.89 39
54 8.26 83
55 7.03 70
56 10.2 102
57 99.99 999
58 7.79 78
59 1.33 13
67 21.14 211
68 1.65 17
71 11.05 111
72 6.18 62
79 1.49 15
81 4.12 41
82 51.66 517
83 3.35 34
85 1.12 11
99 1.31 13
100 3.16 32
//