MassBank Record: MSBNK-IPB_Halle-PN000121
ACCESSION: MSBNK-IPB_Halle-PN000121
RECORD_TITLE: Galangin; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.12.11
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.029
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200
AC$CHROMATOGRAPHY: RETENTION_TIME 807.954 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 269.043
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 171.043
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-01bd-0930000000-402ad7ca923f0fcfad1c
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
101.041 244 244
108.020 738 738
115.055 350 350
117.035 346 346
129.036 183 183
139.054 313 313
141.065 359 359
143.049 992 992
145.033 533 533
154.039 188 188
155.048 298 298
167.046 628 628
169.064 625 625
171.043 999 999
182.033 191 191
195.042 839 839
197.057 263 263
199.035 188 188
211.038 834 834
212.043 209 209
213.054 299 299
223.036 510 510
227.033 235 235
239.035 350 350
252.039 292 292
269.042 526 526
//
system version 2.2.6-SNAPSHOT