MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008410
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008410
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$SPLASH: splash10-0a59-9000000000-87dfc318ffec63bd8e05
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
15 1.13 11
27 7.63 76
28 1.85 19
29 20.88 209
31 2.43 24
39 9.07 91
40 1.59 16
41 44.59 446
42 2.55 26
43 10.9 109
44 5.43 54
45 1.08 11
53 5.47 55
54 9.7 97
55 20.3 203
56 34.89 349
57 99.99 999
58 3.92 39
59 1 10
65 1.17 12
66 1.06 11
67 43.42 434
68 3.27 33
69 5.49 55
70 1.79 18
71 1 10
77 1.61 16
79 4.06 41
80 26.94 269
81 33.95 340
82 37.67 377
83 26.05 261
84 1.43 14
95 2.49 25
98 3.41 34
99 23.79 238
100 2.2 22
101 4.9 49
123 10.13 101
124 1 10
//
system version 2.2.6-SNAPSHOT