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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000727

8-AMINO-4'-METHOXYFLAVANONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000727
RECORD_TITLE: 8-AMINO-4'-METHOXYFLAVANONE; 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$NAME: 8-AMINO-4'-METHOXYFLAVANONE
CH$NAME: 8-AMINO-2-(4-METHOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H15NO3
CH$EXACT_MASS: 269.10519
CH$SMILES: COc(c3)ccc(c3)C(C1)Oc(c(N)2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C16H15NO3/c1-19-11-7-5-10(6-8-11)15-9-14(18)12-3-2-4-13(17)16(12)20-15/h2-8,15H,9,17H2,1H3
CH$LINK: INCHIKEY GLLONMLBZUYGCJ-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$SPLASH: splash10-000i-2900000000-2ebbf7e752f992d9ccd3
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 1.4 14
  51 3.2 32
  52 7.8 78
  53 0.17 2
  65 2.9 29
  77 1.9 19
  78 4.8 48
  79 2.33 23
  91 5.8 58
  107 10 100
  119 4.3 43
  134 1.37 14
  135 99.99 999
  136 10.8 108
  149 7.8 78
  269 3.29 33
  270 4.5 45
//

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