MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009159
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009159
RECORD_TITLE: CYCLOHEXANETHIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12S
CH$EXACT_MASS: 116.06597
CH$SMILES: SC(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
CH$LINK: COMPTOX
DTXSID2027416
CH$LINK: INCHIKEY
CMKBCTPCXZNQKX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:15290
AC$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: splash10-05o0-9000000000-80ad1bdf81528f9efd7a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
26 1.47 15
27 16.46 165
28 3.07 31
29 10.89 109
33 1.91 19
38 1.05 11
39 24.01 240
40 2.45 25
41 55.49 555
42 3.13 31
43 3.45 35
45 15.4 154
46 1.53 15
47 9.31 93
50 1.49 15
51 2.79 28
52 1.37 14
53 11.25 113
54 28.63 286
55 99.99 999
56 4.79 48
58 3.07 31
59 6.74 67
60 10.99 110
61 3.04 30
65 1.91 19
66 1.35 14
67 72.72 727
68 4.38 44
69 1.82 18
71 1.96 20
73 10.06 101
74 1.41 14
77 2.07 21
79 4.52 45
81 10.8 108
82 62.27 623
83 66.35 664
84 3.42 34
85 1.07 11
87 1.49 15
116 54.19 542
117 3.74 37
118 2.15 22
//