MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006517
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006517
RECORD_TITLE: CYCLOHEXYL PENTANOATE; 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$NAME: CYCLOHEXYL PENTANOATE
CH$NAME: CYCLOHEXYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
CH$LINK: INCHIKEY
YLCHTSSXNSNXSW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10165811
AC$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: splash10-0pc9-9100000000-97888717f3890d192d1b
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 1.47 15
26 1.51 15
27 21.07 211
29 35.28 353
30 1.2 12
31 1.38 14
39 17.75 178
41 68.06 681
42 9.79 98
43 7.48 75
44 1.72 17
45 1.73 17
51 1.83 18
53 6.09 61
54 18.81 188
55 63.83 638
56 7.6 76
57 84.72 847
58 6.01 60
59 1.7 17
60 14.56 146
61 2.92 29
66 1.62 16
67 67.76 678
68 3.73 37
69 1.52 15
71 1.51 15
73 6.01 60
74 1.19 12
75 2.08 21
77 1.56 16
79 2.73 27
80 1.02 10
81 9.81 98
82 99.99 999
83 42.79 428
84 4.47 45
85 93.15 932
86 4.75 48
87 1.76 18
99 7.06 71
100 3.01 30
101 1.59 16
102 17.06 171
103 97.58 976
104 4.49 45
124 1.54 15
127 1.9 19
141 1.97 20
142 1.03 10
//