MassBank Record: KO008954



 E-64; LC-ESI-IT; MS3; m/z: 358/244; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008954
RECORD_TITLE: E-64; LC-ESI-IT; MS3; m/z: 358/244; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID E015
COMMENT: [MS2] KO008950

CH$NAME: E-64 CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H27N5O5 CH$EXACT_MASS: 357.20122 CH$SMILES: NC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)C(O1)C(C(O)=O)1 CH$IUPAC: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19) CH$LINK: CAS 66701-25-5 CH$LINK: CHEBI 30270 CH$LINK: CHEMPDB E64 CH$LINK: KEGG C01341 CH$LINK: NIKKAJI J22.188K CH$LINK: PUBCHEM 4546 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.00/0.80
MS$FOCUSED_ION: PRECURSOR_M/Z 358/244 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0a4i-1920000000-fdf7165a06386a09e655 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 69.0 19.25 5 70.2 7.17 2 72.2 668.46 160 73.2 11.25 3 84.0 6.67 2 86.2 629.88 150 87.2 5.75 1 89.1 14.91 4 97.1 77.58 19 98.1 15.75 4 99.1 12.25 3 104.0 2.42 1 112.1 31.41 7 114.1 1261.92 301 115.1 119.07 28 124.1 2.25 1 126.0 1.00 1 128.1 215.39 51 131.1 131.42 31 132.1 13.75 3 140.1 64.50 15 141.1 4.75 1 142.1 19.08 5 156.1 4186.04 999 157.1 74.41 18 157.8 2.33 1 167.3 12.66 3 174.0 5.17 1 181.0 1.67 1 182.1 81.33 19 183.2 27.00 6 184.2 889.94 212 185.2 269.73 64 186.1 8.83 2 192.1 6.08 1 198.9 1.25 1 200.1 103.24 25 202.2 239.48 57 208.1 5.25 1 209.1 7.58 2 210.1 388.15 93 211.2 32.91 8 217.1 11.25 3 226.0 5.17 1 227.2 1477.24 353 228.1 88.50 21 244.2 8.42 2 //

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