MassBank Record: MSBNK-IPB_Halle-PB000124
ACCESSION: MSBNK-IPB_Halle-PB000124
RECORD_TITLE: Naringenin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 83
COMMENT: CONFIDENCE confident structure
CH$NAME: Naringenin
CH$NAME: 5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
CH$COMPOUND_CLASS: Natural Product; Flavanone
CH$FORMULA: C15H12O5
CH$EXACT_MASS: 272.06847
CH$SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
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: INCHIKEY
FTVWIRXFELQLPI-ZDUSSCGKSA-N
CH$LINK: KEGG
C00509
CH$LINK: PUBCHEM
CID:439246
CH$LINK: COMPTOX
DTXSID1022392
AC$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-69d64a193ad59cc8263f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
67.019 186.967 17
68.998 126.366 11
69.036 97.117 8
91.054 732.733 72
95.050 204.264 19
97.029 119.880 10
107.051 222.102 21
119.050 3386.787 337
123.044 394.715 38
147.044 2275.676 226
153.018 10000.000 999
154.023 356.697 34
//