MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006998
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006998
RECORD_TITLE: CYCLOHEXYL HEXANOATE; 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$NAME: CYCLOHEXYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C12H22O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY
DTNOERNOMHQUCN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20211474
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$SPLASH: splash10-015c-9100000000-9c0bfb7312013832fbfb
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
26 1.14 11
27 20.82 208
29 24.83 248
39 18.75 188
41 55.46 555
42 15.22 152
43 63.4 634
44 2.81 28
45 1.81 18
51 1.51 15
53 5.23 52
54 22.91 229
55 58.62 586
56 10.26 103
57 4.89 49
58 1.81 18
59 1.52 15
60 18.82 188
61 4.26 43
65 1.24 12
66 1.21 12
67 60.95 610
68 3.25 33
69 4.1 41
70 3.22 32
71 39.21 392
72 2.19 22
73 6.6 66
75 1.1 11
77 1.26 13
79 2.12 21
80 1.29 13
81 10.92 109
82 97.77 978
83 43.15 432
84 2.72 27
87 3.97 40
89 2.23 22
97 1.02 10
98 1.39 14
99 70.29 703
100 3.76 38
114 2.09 21
115 1.12 11
116 17.56 176
117 99.99 999
118 5.21 52
124 1.14 11
127 1.37 14
142 1.25 13
155 1.19 12
//