MassBank Record: MSBNK-RIKEN-PR040018
ACCESSION: MSBNK-RIKEN-PR040018
RECORD_TITLE: Flavanone; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
DATE: 2016.01.19 (Created 2007.10.17, modified 2011.05.06)
AUTHORS: Matsuda F, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
CH$NAME: 2,3-dihydroflavone
CH$NAME: Flavanone
CH$NAME: Flva
CH$NAME: 2-phenylchroman-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H12O2
CH$EXACT_MASS: 224.08373
CH$SMILES: c(c3)ccc(c3)C(C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
CH$LINK: CAS
487-26-3
CH$LINK: KAPPAVIEW
KPC00524
CH$LINK: KEGG
C00766
CH$LINK: PUBCHEM
CID:10251
CH$LINK: INCHIKEY
ZONYXWQDUYMKFB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9022318
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 eV
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)
MS$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 225.1
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MassLynx 4.1
PK$SPLASH: splash10-00b9-1950000000-84dc73782301f92e591a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
65.0277 1406 101
77.0303 1038 75
79.0467 245 17
91.0484 358 25
93.0280 1837 132
103.0501 3606 260
103.1020 323 23
105.0293 214 15
119.0471 224 16
121.0260 13820 999
121.0820 1153 83
122.0288 208 15
131.0476 3235 233
131.1055 259 18
147.0436 1690 122
152.0612 278 20
178.0784 2228 161
179.0860 2916 210
181.0655 372 26
197.0984 214 15
207.0812 1446 104
210.0681 3366 243
225.0916 12560 907
225.1670 766 55
226.0946 499 36
//