MassBank Record: MSBNK-RIKEN-PR040017
ACCESSION: MSBNK-RIKEN-PR040017
RECORD_TITLE: Flavanone; LC-ESI-QTOF; MS2; CE:30 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 30 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$SPLASH: splash10-0fmi-3900000000-0181326b7d00d900e3f3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
65.0272 2005 322
65.0688 258 41
77.0298 1067 171
79.0458 295 47
91.0479 363 58
93.0274 2511 404
93.0770 283 45
103.0492 4509 726
103.1012 481 77
121.0250 6204 999
121.0814 644 103
131.0467 667 107
147.0421 195 31
152.0608 191 30
177.0685 206 33
178.0765 2967 477
178.1446 242 38
179.0838 405 65
181.0636 576 92
//