MassBank Record: PN000120

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Galangin; ESI-TOF; MS2; CE:15 eV; [M+H]+

Mass Spectrum
Chemical Structure
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ACCESSION: PN000120
RECORD_TITLE: Galangin; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.12.10
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard

CH$NAME: Galangin
CH$NAME: Norizalpinin, 3,5,7-trihydroxyflavone
CH$COMPOUND_CLASS: Natural Product; flavonol
CH$FORMULA: C15H10O5
CH$EXACT_MASS: 270.0528234199999815245973877608776092529296875
CH$SMILES: OC1=CC(O)=C2C(=O)C(O)=C(OC2(=C1))C=3C=CC=CC=3
CH$IUPAC: InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
CH$LINK: CAS 548-83-4
CH$LINK: COMPTOX DTXSID70203288
CH$LINK: INCHIKEY VCCRNZQBSJXYJD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5281616

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.026
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 820.524

MS$FOCUSED_ION: BASE_PEAK 153.018
MS$FOCUSED_ION: PRECURSOR_M/Z 271.061
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0ukc-0920000000-7017490addc5c6a4463a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  91.055 141 141
  105.033 440 440
  115.055 128 128
  129.064 69 69
  131.046 95 95
  137.021 130 130
  141.070 378 378
  142.069 50 50
  145.066 82 82
  153.018 999 999
  154.026 58 58
  165.018 174 174
  168.057 75 75
  169.066 136 136
  197.059 319 319
  198.059 63 63
  213.054 127 127
  242.064 111 111
  271.063 505 505
  272.065 135 135
//