MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002120
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002120
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$NAME: CYCLOHEXYL ACETATE
CH$NAME: ACETIC ACID CYCLOHEXYL ESTER
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 RMU-7M
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: splash10-00l6-9000000000-e34ef1930e205ff0aa2a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 2.08 21
27 4.45 45
28 1.41 14
29 3.12 31
39 6.01 60
41 13.35 134
42 2.89 29
43 99.99 999
44 3.41 34
53 1.48 15
54 20.1 201
55 16.54 165
57 8.01 80
58 6.45 65
61 6.9 69
67 67.36 674
68 2.97 30
71 2.97 30
81 8.01 80
82 67.14 671
83 8.83 88
99 3.04 30
100 3.34 33
//