MassBank Record: MSBNK-IPB_Halle-PN000089
ACCESSION: MSBNK-IPB_Halle-PN000089
RECORD_TITLE: Luteone diglucoside malonylated; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.03.19
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico
CH$NAME: Luteone diglucoside malonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C35H40O19
CH$EXACT_MASS: 764.21637906
CH$SMILES: N/A
CH$IUPAC: N/A
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$MASS_SPECTROMETRY: PEAK_WIDTH 0.022
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200
AC$CHROMATOGRAPHY: RETENTION_TIME 373.813 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 763.212
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 515.158
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-066r-0001090000-aeb489b7fba2efbb22b3
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
353.1056 85 85
377.1032 52 52
395.1177 174 174
396.1176 38 38
515.1577 999 999
516.1587 230 230
517.1622 43 43
539.1547 52 52
557.1689 553 553
558.1693 165 165
559.1720 43 43
581.1624 30 30
719.2305 66 66
720.2172 29 29
//
system version 2.2.6-SNAPSHOT