MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008411
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008411
RECORD_TITLE: PARA-TERT-BUTYLCYCLOHEXANOL; 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$NAME: PARA-TERT-BUTYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: OC(C1)CCC(C1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
CH$LINK: INCHIKEY
CCOQPGVQAWPUPE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026623
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$SPLASH: splash10-0a59-9000000000-1e973475c7a21128795f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 8.55 86
28 1.43 14
29 18.77 188
31 1.97 20
39 9.62 96
40 1.61 16
41 40.94 409
42 2.49 25
43 10.67 107
44 4.72 47
51 1.01 10
53 4.35 44
54 8.62 86
55 18.73 187
56 40.71 407
57 99.99 999
58 3.86 39
67 28.56 286
68 2.26 23
69 6.89 69
70 1.89 19
77 1.17 12
79 3.28 33
80 14.37 144
81 43.56 436
82 22.89 229
83 20.47 205
84 1.31 13
95 4.32 43
96 1.55 16
99 13.27 133
101 1.12 11
110 2.65 27
123 14.22 142
124 1.27 13
138 11.44 114
139 1.06 11
//
system version 2.2.6-SNAPSHOT