MassBank Record: KO008953



 E-64; LC-ESI-IT; MS3; m/z: 358/298; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008953
RECORD_TITLE: E-64; LC-ESI-IT; MS3; m/z: 358/298; [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 0.95/0.90
MS$FOCUSED_ION: PRECURSOR_M/Z 358/298 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0fl0-1690000000-e1bc403a5fcca3d56289 PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 86.2 73.49 114 88.2 7.42 12 89.1 34.99 54 94.0 2.50 4 96.1 9.16 14 97.2 7.00 11 98.2 19.08 30 99.1 143.74 223 100.0 18.66 29 101.2 29.16 45 104.0 6.83 11 105.1 2.25 3 109.2 12.50 19 110.1 52.83 82 111.3 2.33 4 112.1 28.41 44 114.1 10.42 16 115.1 57.84 90 116.0 6.08 9 119.9 6.25 10 121.9 4.00 6 124.1 4.41 7 125.1 4.17 6 126.2 30.83 48 127.1 32.58 51 128.1 54.42 85 132.0 306.14 475 135.8 2.33 4 138.0 2.75 4 139.1 15.66 24 140.2 29.33 46 141.1 11.58 18 141.9 12.83 20 144.0 130.15 202 150.1 7.75 12 151.1 8.50 13 153.1 4.33 7 153.8 1.50 2 155.1 23.50 36 156.1 75.01 116 157.1 4.41 7 157.9 18.50 29 164.1 29.33 46 166.3 6.75 10 167.1 52.67 82 168.1 7.92 12 169.1 2.42 4 170.0 6.00 9 172.0 11.92 19 176.9 2.17 3 182.0 33.08 51 183.1 47.00 73 184.1 203.06 315 185.1 6.42 10 186.1 6.58 10 191.1 4.66 7 192.1 9.58 15 194.2 236.48 367 195.1 2.58 4 196.3 9.92 15 200.1 472.21 733 206.2 58.66 91 207.2 25.66 40 208.1 10.84 17 208.9 8.50 13 210.2 270.14 420 211.1 29.83 46 212.2 29.17 45 213.0 55.49 86 222.1 3.58 6 223.2 7.58 12 224.2 256.96 399 225.3 8.33 13 226.2 340.37 529 227.0 8.00 12 236.1 32.42 50 237.1 34.58 54 238.2 4.42 7 240.3 55.33 86 242.2 2.00 3 245.1 1.08 2 251.2 10.17 16 252.0 4.92 8 254.0 8.58 13 263.1 9.66 15 269.3 23.66 37 270.2 643.28 999 271.1 6.67 10 279.1 3.17 5 280.2 25.25 39 281.2 17.00 26 297.2 1.00 2 298.2 76.57 119 391.1 14.33 22 //