MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008407
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008407
RECORD_TITLE: PARA-TERT-AMYLCYCLOHEXANOL; 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$NAME: PARA-TERT-AMYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCC(C)(C)C(C1)CCC(O)C1
CH$IUPAC: InChI=1S/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3
CH$LINK: INCHIKEY
VDQZABQVXYELSI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9040716
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$SPLASH: splash10-00di-9100000000-2871edb850185b2567b2
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
27 12.24 122
28 2.21 22
29 19.71 197
31 2.34 23
39 9.76 98
40 1.37 14
41 32.23 322
42 6.29 63
43 70.26 703
44 6.8 68
53 6.55 66
54 6 60
55 35.83 358
56 4.54 45
57 8.56 86
65 1.16 12
67 38.92 389
68 3.19 32
69 9.7 97
70 99.99 999
71 85.62 856
72 4.59 46
77 1.37 14
79 4.77 48
80 8.84 88
81 45.6 456
82 13.43 134
83 8.91 89
93 1.08 11
95 9.56 96
96 1.55 16
97 1.1 11
99 7.85 79
107 1.06 11
109 1.22 12
122 2.39 24
123 46.5 465
124 5.61 56
137 4.94 49
141 2.13 21
152 8.49 85
//
system version 2.2.6-SNAPSHOT