MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005556
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005556
RECORD_TITLE: 6-METHYL-5-METHYLENE-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 6-METHYL-5-METHYLENE-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12O
CH$EXACT_MASS: 172.08882
CH$SMILES: c(c3)cc(O1)c(c3)C(=C)C(C)(C2)C12
CH$IUPAC: InChI=1S/C12H12O/c1-8-9-5-3-4-6-10(9)13-11-7-12(8,11)2/h3-6,11H,1,7H2,2H3
CH$LINK: INCHIKEY
UFRUXWQYRJYVNJ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMS-4
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: splash10-05i0-4900000000-c62cfdfbf178bf859e70
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
39 36 360
41 14 140
43 21 210
50 17 170
51 35 350
63 25 250
64 13 130
65 16 160
74 7 70
75 11 110
76 14 140
77 25 250
78 10 100
79 3 30
89 12 120
91 16 160
102 12 120
103 12 120
104 7 70
105 5 50
107 11 110
115 30 300
117 27 270
119 15 150
121 10 100
127 23 230
128 54 540
129 38 380
130 7 70
131 35 350
134 8 80
141 5 50
144 8 80
145 28 280
146 10 100
157 66 660
158 11 110
171 32 320
172 99.99 999
173 17 170
174 17 170
175 5 50
//
system version 2.2.6-SNAPSHOT