MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001531
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001531
RECORD_TITLE: CYCLOHEXYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-80d076308eba33206483
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 5.65 57
27 8.8 88
28 2.25 23
29 6.2 62
31 1.05 11
39 9.05 91
40 1.5 15
41 16.65 167
42 3 30
43 99.99 999
44 4.75 48
51 1 10
53 2.65 27
54 18.7 187
55 16.1 161
56 1.9 19
57 8.05 81
58 7.35 74
59 1.65 17
61 8.85 89
67 52.15 522
68 3 30
71 3.5 35
72 1.5 15
79 1.45 15
81 7.75 78
82 25.5 255
83 10.55 106
99 4.35 44
100 4.95 50
//