MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005531
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005531
RECORD_TITLE: 1,3-DIMETHYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; 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$NAME: 1,3-DIMETHYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O2
CH$EXACT_MASS: 138.06808
CH$SMILES: CC(=C([H])2)OC(C)(C1)C(C(=O)2)1
CH$IUPAC: InChI=1S/C8H10O2/c1-5-3-7(9)6-4-8(6,2)10-5/h3,6H,4H2,1-2H3
CH$LINK: INCHIKEY
GZOUQKLFUKOBFC-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMS-6L
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: splash10-004l-9000000000-15ed5139c6502addfc6b
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
26 2 20
27 13 130
28 99.99 999
29 2 20
31 1.5 15
32 5 50
37 1 10
38 2 20
39 16.5 165
40 24.5 245
41 6 60
42 2 20
43 41 410
44 1.5 15
45 2 20
50 1.5 15
51 2 20
52 1 10
53 4.5 45
54 3.5 35
55 17 170
56 1 10
61 1 10
65 1 10
67 4.5 45
68 20 200
69 3.5 35
71 4 40
85 11.5 115
95 7.5 75
96 15 150
97 1 10
99 0.5 5
109 2 20
110 1 10
112 0.5 5
123 1.5 15
138 11.5 115
139 2 20
140 0.2 2
//