MassBank Record: KO008952



 E-64; LC-ESI-IT; MS3; m/z: 358/330; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008952
RECORD_TITLE: E-64; LC-ESI-IT; MS3; m/z: 358/330; [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 0.95/0.95
MS$FOCUSED_ION: PRECURSOR_M/Z 358/330 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03dl-0590000000-dc31fe557c6d74362a50 PK$NUM_PEAK: 105 PK$PEAK: m/z int. rel.int. 94.2 2.00 1 95.0 4.58 1 97.1 246.41 48 99.2 46.41 9 104.0 22.58 4 111.0 2.75 1 112.0 22.08 4 113.0 6.83 1 114.1 4944.02 965 115.1 277.82 54 116.1 31.58 6 126.1 21.00 4 128.1 16.92 3 129.1 16.33 3 131.1 120.74 24 138.1 4.17 1 139.0 48.50 9 140.1 45.41 9 141.1 91.91 18 142.1 96.33 19 149.1 1.50 1 151.1 4.50 1 152.1 7.17 1 153.0 6.25 1 154.1 13.50 3 155.0 20.25 4 156.1 261.82 51 157.1 20.50 4 158.0 3.75 1 159.2 6.92 1 165.1 3.25 1 166.1 25.67 5 167.2 14.50 3 168.2 4.25 1 168.9 22.67 4 171.2 27.58 5 172.1 322.15 63 180.2 5.50 1 180.9 5.08 1 182.1 39.91 8 183.2 28.66 6 184.2 70.49 14 185.0 30.08 6 186.1 6.17 1 187.1 5.25 1 189.1 2.75 1 193.2 2.25 1 194.1 19.25 4 195.1 6.42 1 196.3 19.00 4 199.1 48.91 10 200.1 140.83 27 202.1 73.99 14 207.1 14.42 3 208.1 35.25 7 209.1 65.91 13 210.2 425.97 83 211.1 239.81 47 212.0 16.50 3 214.2 6.33 1 223.1 3.67 1 224.1 59.83 12 225.2 21.42 4 226.2 12.92 3 227.1 93.33 18 228.1 38.41 7 232.0 4.33 1 235.1 7.25 1 236.1 16.50 3 237.2 32.17 6 238.2 27.42 5 241.1 3.25 1 242.4 12.42 2 243.1 3.50 1 244.2 5116.62 999 249.3 53.91 11 250.2 88.00 17 251.1 10.67 2 252.3 70.91 14 253.1 81.91 16 254.2 111.16 22 255.2 11.42 2 260.3 10.42 2 266.2 56.16 11 267.2 42.58 8 268.3 26.75 5 270.2 1970.73 385 271.2 650.54 127 272.3 1.33 1 277.2 29.25 6 278.1 127.91 25 279.1 3.08 1 282.2 6.17 1 284.3 36.08 7 288.2 157.49 31 288.9 6.33 1 294.2 191.32 37 295.2 623.97 122 296.2 293.31 57 296.8 1.42 1 302.3 42.42 8 312.2 128.91 25 313.2 861.11 168 330.2 108.83 21 392.1 3.08 1 //

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