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MassBank Record: BS002001

Hex-Naringenin (PUT); LC-ESI-QTOF; MS2; CE:33 eV; [M-H]-

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

ACCESSION: BS002001
RECORD_TITLE: Hex-Naringenin (PUT); LC-ESI-QTOF; MS2; CE:33 eV; [M-H]-
DATE: 2017.12.01 (Created 2014.12.10)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: Hex-Naringenin (PUT)
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C21H22O10
CH$EXACT_MASS: 434.1213
CH$SMILES: N/A
CH$IUPAC: N/A

AC$INSTRUMENT: Bruker impact HD
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 33 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.017
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min
AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min
AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid
AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid
AC$CHROMATOGRAPHY: RETENTION_TIME 225.6 sec

MS$FOCUSED_ION: PRECURSOR_M/Z 433.1123
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-0udi-0090000000-450a44302db8859f2ff1
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  117.0328 8 8
  135.0073 11 11
  137.0231 11 11
  163.0025 5 5
  165.0193 18 18
  191.0326 5 5
  223.0405 9 9
  224.0505 32 32
  225.0558 24 24
  243.0668 77 77
  253.0505 999 999
  254.0531 160 160
  255.0568 8 8
  271.0598 31 31
  272.0630 14 14
  327.0709 26 26
  433.1109 128 128
  434.1174 19 19
  1102.5399 4 4
  1233.4293 5 5
//

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