MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011922
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011922
RECORD_TITLE: BETA-NAPHTHOFLAVONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-NAPHTHOFLAVONE
CH$NAME: 3,5-BENZOFLAVONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H12O2
CH$EXACT_MASS: 272.08373
CH$SMILES: c(c4)ccc(c4)C(=C3)Oc(c1)c(C(=O)3)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
CH$LINK: CAS
6051-87-2
CH$LINK: NIKKAJI
J1.840F
CH$LINK: INCHIKEY
OUGIDAPQYNCXRA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8030423
AC$INSTRUMENT: HITACHI M-2500
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: splash10-00di-3790000000-c4fd2800aec22c1db180
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
17 1.09 11
18 4.84 48
27 1.98 20
28 1.97 20
31 1.21 12
39 4.06 41
50 4.02 40
51 5.37 54
52 2.2 22
62 3.26 33
63 6.68 67
64 1.51 15
74 3.54 35
75 3.94 39
76 4.49 45
77 3.37 34
86 1.52 15
87 2.94 29
88 4.91 49
89 2.27 23
94 1.11 11
95 3.21 32
102 7.71 77
106 3.21 32
107 6.17 62
108 1.95 20
113 6.67 67
114 31.55 316
115 8.61 86
116 1.87 19
122 12.7 127
126 2.17 22
136 3.01 30
139 1.3 13
142 15.35 154
143 1.81 18
144 13.8 138
145 1.46 15
170 31.47 315
171 3.86 39
189 1.66 17
213 2.86 29
215 8.15 82
243 2.41 24
244 42.62 426
245 8.22 82
271 6.41 64
272 99.99 999
273 21.74 217
274 2.69 27
//
system version 2.2.8-SNAPSHOT