MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003602
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003602
RECORD_TITLE: CYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aou-9000000000-42b2d912cef44647480d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
29 29.2 292
30 3 30
31 11 110
37 0.33 3
38 5 50
39 43 430
40 8 80
41 4.3 43
42 16 160
43 23 230
44 23 230
45 0.35 4
50 7 70
51 8 80
52 3.5 35
53 1.1 11
54 33.5 335
55 18 180
56 13 130
57 99.99 999
58 7.3 73
66 4 40
67 67.3 673
68 0.6 6
69 3 30
70 3 30
71 12.7 127
72 0.65 7
77 5 50
78 3 30
79 7 70
80 0.2 2
81 9 90
82 52 520
83 5 50
98 0.3 3
99 2 20
100 1.8 18
//