MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005790
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005790
RECORD_TITLE: (E)-2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-ETHENE-1-YL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: (E)-2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-ETHENE-1-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O2
CH$EXACT_MASS: 208.14633
CH$SMILES: CC(=O)OC([H])=C([H])C(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C13H20O2/c1-10-6-5-8-13(3,4)12(10)7-9-15-11(2)14/h7,9H,5-6,8H2,1-4H3/b9-7+
CH$LINK: INCHIKEY
QQLXIJJAHMEDSX-VQHVLOKHSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0gb9-3900000000-7c83e4557650ce6a8ea2
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
52 1.81 18
54 4.58 46
55 7.21 72
57 3.61 36
65 2.91 29
67 5.24 52
69 5.37 54
71 2.21 22
77 4.57 46
79 5.73 57
80 1.31 13
81 14.05 141
82 1.57 16
83 3.2 32
84 2.53 25
91 8 80
92 1.77 18
93 11.08 111
94 2.26 23
95 23.49 235
96 2.74 27
97 5.61 56
105 5.27 53
107 9.34 93
108 2.8 28
109 7.45 75
110 18.2 182
111 3.82 38
121 3.14 31
122 3.09 31
123 7.62 76
124 1.07 11
133 7.43 74
134 1.18 12
135 2.34 23
137 2.35 24
151 92.68 927
152 9.63 96
166 99.99 999
167 11.22 112
168 0.98 10
208 19.28 193
209 2.27 23
//