MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006787
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006787
RECORD_TITLE: DIBENZOYLMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: DIBENZOYLMETHANE
CH$NAME: 1,3-DIPHENYL-1,3-PROPANDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O2
CH$EXACT_MASS: 224.08373
CH$SMILES: O=C(CC(=O)c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
CH$LINK: INCHIKEY
NZZIMKJIVMHWJC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3041247
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-05i0-9870000000-2b6cb690ca482b354165
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 1.42 14
39 4.31 43
43 2.95 30
50 5.54 55
51 21.54 215
52 2.4 24
63 2.46 25
65 5.42 54
69 51.75 518
70 1.85 19
76 4.62 46
77 68.31 683
78 8.98 90
89 4 40
91 4.31 43
103 2.77 28
105 99.99 999
106 8 80
121 2.77 28
122 4.92 49
147 45.05 451
148 4.55 46
162 2.34 23
195 1.11 11
196 1.23 12
207 2.58 26
208 1.85 19
223 72.92 729
224 70.65 707
225 11.08 111
//