MassBank Record: MSBNK-IPB_Halle-PN000120
ACCESSION: MSBNK-IPB_Halle-PN000120
RECORD_TITLE: Galangin; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.12.10
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard
CH$NAME: Galangin
CH$NAME: Norizalpinin, 3,5,7-trihydroxyflavone
CH$COMPOUND_CLASS: Natural Product; flavonol
CH$FORMULA: C15H10O5
CH$EXACT_MASS: 270.05282342
CH$SMILES: OC1=CC(O)=C2C(=O)C(O)=C(OC2(=C1))C=3C=CC=CC=3
CH$IUPAC: InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
CH$LINK: PUBCHEM
CID:5281616
CH$LINK: CAS
548-83-4
CH$LINK: INCHIKEY
VCCRNZQBSJXYJD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70203288
AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.026
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$CHROMATOGRAPHY: RETENTION_TIME 820.524 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 271.061
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 153.018
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0ukc-0920000000-7017490addc5c6a4463a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
91.055 141 141
105.033 440 440
115.055 128 128
129.064 69 69
131.046 95 95
137.021 130 130
141.070 378 378
142.069 50 50
145.066 82 82
153.018 999 999
154.026 58 58
165.018 174 174
168.057 75 75
169.066 136 136
197.059 319 319
198.059 63 63
213.054 127 127
242.064 111 111
271.063 505 505
272.065 135 135
//
system version 2.2.6-SNAPSHOT