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MassBank Record: PN000003

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

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

ACCESSION: PN000003
RECORD_TITLE: Naringenin; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.19
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: Naringenin
CH$NAME: 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
CH$NAME: Salipurol
CH$COMPOUND_CLASS: Natural Product; flavanone
CH$FORMULA: C15H12O5
CH$EXACT_MASS: 272.068473484
CH$SMILES: OC=1C=CC(=CC=1)C2CC(=O)C3=C(O)C=C(O)C=C3(O2)
CH$IUPAC: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
CH$LINK: PUBCHEM CID:439246
CH$LINK: CAS 480-41-1
CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N
CH$LINK: COMPTOX DTXSID1022392

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: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.027
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9269-1004.95
AC$CHROMATOGRAPHY: RETENTION_TIME 427.979 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 273.073
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 153.016
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0udi-2900000000-a5f564237b84d1e72d98
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  77.039 14 14
  91.053 352 352
  92.057 34 34
  95.048 32 32
  97.029 34 34
  107.051 36 36
  119.049 276 276
  120.050 25 25
  123.041 20 20
  147.042 79 79
  153.016 999 999
  154.020 58 58
//

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