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Leupeptin hemisulfate salt; MS2; Q-Tof; [M+H]+
2008.7.24 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PT101280 | |
RECORD_TITLE | Leupeptin hemisulfate salt; MS2; Q-Tof; [M+H]+ | |
DATE | 2008.7.24 | |
AUTHORS | Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
COPYRIGHT | Copyright(C) 2009 Plant Science Center, RIKEN | |
COMMENTS | Build 1 2009/06/24 | |
COMMENTS | Acquisition and generation of the data is financially supported in part by CREST/JST. | |
STRUCTURE_FILE_NAME | N/A | |
CH$ NAME | Leupeptin hemisulfate salt | |
CH$ NAME | Acetyl-Leu-Leu-Arg-al | |
CH$ NAME | N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt | |
CH$ NAME | 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide | |
CH$ COMPOUND_CLASS | CLASS1 | Amino acid |
CH$ COMPOUND_CLASS | CLASS2 | Peptide |
CH$ COMPOUND_CLASS | CLASS3 | Oligopeptide |
CH$ FORMULA | C20H38N6O4 | |
CH$ EXACT_MASS | 426.58 | |
CH$ LINK | CAS | 24365-47-7 |
CH$ SMILES | CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C | |
CH$ IUPAC | InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15u,16-,17u/m0/s1/f/h24-26H,21-22H2 | |
AC$ INSTRUMENT | Q-Tof Premier, Waters | |
AC$ INSTRUMENT_TYPE | N/A | |
AC$ ANALYTICAL_CONDITION | MS_TYPE | LC-Q-TOF/MS |
AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
AC$ ANALYTICAL_CONDITION | SOURCE_TEMPERATURE | 120 C |
AC$ ANALYTICAL_CONDITION | PRECURSOR_SELECTION | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_EQUIPMENT | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_METHOD | LOW-ENERGY CID |
AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | Ramp 5-45 V |
AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | TOF |
AC$ ANALYTICAL_CONDITION | DATAFORMAT | Continuum |
AC$ ANALYTICAL_CONDITION | SOLVENT | CH3CN/H2O |
AC$ ANALYTICAL_CONDITION | MODE | POSITIVE |
AC$ ANALYTICAL_CONDITION | CAPILLARY_VOLTAGE | 3.0 kV |
AC$ ANALYTICAL_CONDITION | SAMPLING_CONE | 23.0 V |
MS$ FOCUSED_ION | ION_TYPE | [M+H]+ |
MS$ FOCUSED_ION | PRECURSOR_M/Z | 427.30324 |
PK$ NUM_PEAK | 2 | |
PK$ PEAK |
m/z int. rel.int. ![]() ![]() ![]()
409.297
293.4
121
427.3033
2421
999
|