ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000671
RECORD_TITLE: 6-CARBOXYFLAVONOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6-CARBOXYFLAVONOL
CH$NAME: 3-HYDROXY-4-OXO-2-PHENYL-4H-CHROMENE-6-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₀O₅
CH$EXACT_MASS: 282.05282
CH$SMILES: OC(=O)c(c3)cc(C(=O)1)c(c3)OC(c(c2)cccc2)=C(O)1
CH$IUPAC: InChI=1S/C16H10O5/c17-13-11-8-10(16(19)20)6-7-12(11)21-15(14(13)18)9-4-2-1-3-5-9/h1-8,18H,(H,19,20)
CH$LINK: INCHIKEY JCIWJNAORFOXFT-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-6390000000-9c7754cc9560a41c7731
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  38 1.5 15
  39 8.2 82
  44 2.1 21
  45 0.57 6
  50 8.7 87
  51 15.9 159
  52 2.6 26
  53 0.51 5
  62 5.4 54
  63 13.8 138
  64 3.8 38
  65 0.32 3
  69 1.6 16
  74 6.2 62
  75 9.4 94
  76 0.96 10
  77 36.8 368
  78 3.9 39
  79 1.9 19
  81 0.19 2
  87 1.6 16
  89 13.2 132
  90 8.4 84
  91 0.36 4
  92 1.6 16
  102 1.6 16
  103 2.9 29
  104 0.89 9
  105 15.1 151
  118 9.5 95
  118.5 2.7 27
  119 0.58 6
  120 2.6 26
  127 2.1 21
  132 4.8 48
  141 0.32 3
  148 1.8 18
  149 6.2 62
  151 3.3 33
  152 1.24 12
  153 5.5 55
  165 4.3 43
  181 7.9 79
  209 0.23 2
  225 10.4 104
  226 1.7 17
  237 2.5 25
  253 0.3 3
  254 8.7 87
  281 91.5 915
  282 99.99 999
  283 1.66 17
  284 2.1 21
//