MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004887
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004887
RECORD_TITLE: 6,8,8-TRIMETHYLBICYCLO(3.2.1)OCT-6-EN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6,8,8-TRIMETHYLBICYCLO(3.2.1)OCT-6-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O
CH$EXACT_MASS: 164.12012
CH$SMILES: O=C(C2)C(C=1)C(C)(C)C(C2)C(C)1
CH$IUPAC: InChI=1S/C11H16O/c1-7-6-9-10(12)5-4-8(7)11(9,2)3/h6,8-9H,4-5H2,1-3H3
CH$LINK: INCHIKEY
ZLPJOXYHLLMTKU-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-054o-9700000000-266d9fb8f2da61e5b789
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
28 58 580
29 2.3 23
32 21.4 214
41 0.31 3
43 3.8 38
55 3.1 31
57 2.3 23
67 0.23 2
77 5.3 53
79 8.4 84
80 3.1 31
81 0.23 2
91 14.5 145
92 3.1 31
93 99.99 999
94 1.45 15
95 2.3 23
105 13 130
106 3.1 31
107 1.37 14
108 80.9 809
109 17.6 176
110 2.3 23
119 0.34 3
120 11.1 111
122 17.6 176
123 1.5 15
129 0.15 2
131 4.6 46
135 4.2 42
136 6.1 61
146 0.69 7
147 1.1 11
149 3.1 31
164 23.7 237
165 4.6 46
//