MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006413
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006413
RECORD_TITLE: CYCLOHEXYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY
VZHUBBUZNIULNM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8061769
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$SPLASH: splash10-007x-9000000000-14210e7987483ed12284
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.06 11
18 6.48 65
26 1.51 15
27 24.6 246
29 14.52 145
39 3.4 34
41 59.68 597
42 5.23 52
43 61.25 613
44 2.29 23
45 1.41 14
51 2.32 23
53 6.41 64
54 20.94 209
55 25.91 259
56 4.28 43
57 1.53 15
60 5.79 58
65 1.45 15
66 1.32 13
67 51.83 518
68 3.53 35
71 99.99 999
72 1.47 15
73 1.73 17
77 1.04 10
81 11.25 113
82 83.77 838
83 33.5 335
86 1.17 12
88 12.66 127
89 65.96 660
90 1.69 17
99 8.08 81
127 6.58 66
//