MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008982
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008982
RECORD_TITLE: CYCLOHEXYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H18O2
CH$EXACT_MASS: 230.13068
CH$SMILES: O=C(C=Cc(c2)cccc2)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
CH$LINK: INCHIKEY
GCFAUZGWPDYAJN-VAWYXSNFSA-N
AC$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: splash10-000t-5900000000-787411443511e76756e9
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
27 10.11 101
29 2.88 29
39 12.01 120
41 27.08 271
42 2.51 25
43 2.25 23
50 3.24 32
51 13.46 135
52 2.05 21
55 24.02 240
56 1.27 13
63 2.24 22
65 1.17 12
67 21.27 213
68 1.07 11
74 1.26 13
75 1.83 18
76 3.22 32
77 34.01 340
78 2.8 28
79 1.64 16
81 4.6 46
82 13.36 134
83 3.06 31
91 3.08 31
99 2.42 24
101 1.2 12
102 10.8 108
103 45.47 455
104 14.2 142
105 1.02 10
120 1.8 18
130 1.38 14
131 99.99 999
132 10.98 110
139 1.04 10
146 1.12 11
147 28.52 285
148 40.63 406
149 54.9 549
150 4.98 50
230 3.06 31
//