MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004867
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004867
RECORD_TITLE: 9-ACETOXY-3-ISOBUTYL-5-METHYLBICYCLO(4.3.0)NON-2-ENE; 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$NAME: 9-ACETOXY-3-ISOBUTYL-5-METHYLBICYCLO(4.3.0)NON-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26O2
CH$EXACT_MASS: 250.19328
CH$SMILES: CC(C)CC(C1)=CC(C(OC(C)=O)2)C(CC2)C(C)1
CH$IUPAC: InChI=1S/C16H26O2/c1-10(2)7-13-8-11(3)14-5-6-16(15(14)9-13)18-12(4)17/h9-11,14-16H,5-8H2,1-4H3
CH$LINK: INCHIKEY
AOOZCPQVJAKLHX-UHFFFAOYSA-N
AC$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: splash10-000x-1900000000-fec4101110e6e6863a62
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
55 2.7 27
57 14.9 149
67 2.5 25
69 0.33 3
91 6.1 61
92 1.4 14
93 4.7 47
95 0.42 4
105 8.6 86
108 1.4 14
109 1.8 18
119 1.6 16
120 1.4 14
121 2.4 24
133 97.1 971
134 1.93 19
135 4.9 49
136 1.5 15
145 2.1 21
147 9.43 94
148 5.9 59
149 3.7 37
150 1.6 16
161 0.36 4
163 2.4 24
175 10.4 104
176 2 20
190 99.99 999
191 9.4 94
193 1.5 15
208 1.9 19
224 2.28 23
250 1.3 13
//
system version 2.2.8-SNAPSHOT