MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006894
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006894
RECORD_TITLE: CYCLOHEXYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: CC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
CH$LINK: INCHIKEY
YYLLIJHXUHJATK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6052299
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$SPLASH: splash10-000x-9000000000-19ac28671ee5bdd23df4
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 5.35 54
27 9.78 98
28 3.26 33
29 7.13 71
39 11.4 114
40 1.54 15
41 18.18 182
42 5.97 60
43 99.99 999
44 5.11 51
53 3.12 31
54 16.08 161
55 16.4 164
56 1.69 17
57 7.43 74
58 6.59 66
59 1.07 11
61 6.93 69
67 44.28 443
68 2.46 25
71 2.69 27
79 1.09 11
81 6.12 61
82 61.51 615
83 8.71 87
99 3.22 32
100 3.1 31
//