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
//