MassBank Record: MSBNK-IPB_Halle-PN000028
ACCESSION: MSBNK-IPB_Halle-PN000028
RECORD_TITLE: 2'-Hydroxygenistein C-glucoside malonylated; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.18
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico
CH$NAME: 2'-Hydroxygenistein C-glucoside malonylated
CH$NAME: 2'Hydroxygenistein C-glucoside malonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C24H22O14
CH$EXACT_MASS: 534.1009553839999
CH$SMILES: N/A
CH$IUPAC: N/A
AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$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 0.019
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9254-1004.93
AC$CHROMATOGRAPHY: RETENTION_TIME 260.12 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 535.112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 535.102
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-000i-0006690000-e0f5101ae9a00417e8b2
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
287.0559 27 27
299.0583 42 42
311.0572 103 103
312.0616 20 20
329.0679 388 388
330.0702 55 55
353.0684 212 212
354.0726 42 42
359.0764 61 61
360.0839 17 17
367.0881 31 31
371.0817 20 20
377.0685 88 88
378.0690 18 18
383.0781 13 13
395.0796 229 229
396.0850 38 38
397.0847 10 10
413.0926 114 114
414.0928 24 24
431.1023 85 85
432.1059 20 20
437.0895 14 14
449.1136 62 62
450.1106 17 17
455.1028 319 319
456.1083 62 62
457.1046 18 18
473.1132 226 226
474.1143 63 63
475.1178 14 14
481.0918 22 22
491.1244 89 89
492.1274 22 22
499.0917 191 191
500.0969 52 52
517.0995 413 413
518.1088 78 78
519.1080 30 30
535.1132 999 999
536.1174 174 174
537.1185 56 56
//