MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007083
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007083
RECORD_TITLE: CYCLOHEXYL ISOVALERATE; 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$NAME: CYCLOHEXYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CC(C)CC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
CH$LINK: INCHIKEY
SQPOKBBCNZIWFI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1064796
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$SPLASH: splash10-0pc9-9100000000-52aceb07beaebd89d23a
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
15 1.56 16
26 1.11 11
27 22.03 220
29 26.46 265
31 1.18 12
39 27.72 277
41 71.9 719
42 15.94 159
43 22.81 228
44 2.3 23
45 2.02 20
51 1.32 13
53 5.78 58
54 21.65 217
55 58.29 583
56 5.35 54
57 96.14 961
58 5.07 51
59 3.16 32
60 18.85 189
61 5.67 57
66 1.05 11
67 60 600
68 2.89 29
69 3.29 33
77 1 10
79 2.36 24
81 8.06 81
82 90.35 904
83 54.37 544
84 3.33 33
85 92.97 930
86 4.28 43
87 10.36 104
99 5.5 55
100 3.72 37
101 1.68 17
102 21.71 217
103 99.99 999
104 4.34 43
127 1.24 12
141 3.15 32
142 1.19 12
//