MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002552
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002552
RECORD_TITLE: CYCLOHEXYL BUTYRATE; 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$NAME: CYCLOHEXYL BUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-008l-9000000000-d3da9d578d4b3ffd657f
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.54 15
27 21.66 217
28 4.31 43
29 10.42 104
39 13.83 138
40 2.3 23
41 39.83 398
42 6.11 61
43 75.8 758
44 2.36 24
53 3.93 39
54 18.2 182
55 33.63 336
56 2.21 22
57 3.55 36
58 2.56 26
60 4.4 44
67 53.98 540
68 3.05 31
70 2.59 26
71 96.36 964
72 4.4 44
73 2.65 27
79 1.34 13
81 9.67 97
82 99.99 999
83 35.64 356
84 2.26 23
86 5.41 54
87 1.45 15
88 13.42 134
89 71.73 717
90 3.32 33
99 6.14 61
127 5.03 50
//