MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005894
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005894
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001l-9000000000-8443f1d6b95adb627f0f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
41 3.2 32
43 61.84 618
44 2.26 23
54 15.41 154
55 8.18 82
56 1.32 13
57 5.45 55
58 7.42 74
59 1.5 15
61 9.4 94
67 50 500
68 3.01 30
71 3.38 34
72 1.13 11
81 5.83 58
82 99.99 999
83 11.28 113
99 5.08 51
100 5.83 58
//