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MassBank Record: PN000004

Naringenin; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000004
RECORD_TITLE: Naringenin; ESI-TOF; MS2; CE:25 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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.033
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7389-1204.74
AC$CHROMATOGRAPHY: RETENTION_TIME 430.747 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 271.059
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 119.046
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-014i-0900000000-d8b01f761701c128b7bf
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  83.011 15 15
  93.031 53 53
  107.012 95 95
  108.019 21 21
  117.032 35 35
  119.048 999 999
  120.052 55 55
  143.048 20 20
  145.028 35 35
  151.002 45 45
  161.060 22 22
  187.039 43 43
//

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