MassBank Record: KO008951 |
E-64; LC-ESI-IT; MS3; m/z: 358/341; [M+H]+
Mass Spectrum
|
Chemical Structure |
ACCESSION: KO008951 RECORD_TITLE: E-64; LC-ESI-IT; MS3; m/z: 358/341; [M+H]+ DATE: 2011.12.05 (2008.05.12) AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, 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 0.90/0.95
MS$FOCUSED_ION: PRECURSOR_M/Z 358/341 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03di-0961000000-ff2dca245f978d2ee077 PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 97.1 164.17 53 98.0 9.58 3 99.1 9.50 3 111.1 7.83 3 112.0 1.50 1 114.1 3118.83 999 115.1 43.67 14 121.0 2.17 1 124.0 2.25 1 125.1 90.51 29 127.0 12.67 4 130.9 6.67 2 132.0 34.33 11 137.1 2.08 1 139.0 8.33 3 140.0 112.43 36 141.1 18.75 6 142.1 12.08 4 145.8 7.91 3 149.0 3.58 1 150.0 7.33 2 150.9 5.50 2 152.1 8.50 3 153.1 36.50 12 154.1 35.83 11 156.1 34.75 11 164.1 52.83 17 165.1 27.58 9 166.1 116.34 37 167.0 5.83 2 169.1 2.58 1 170.2 1.50 1 171.0 8.08 3 172.1 6.83 2 177.9 5.17 2 181.1 26.59 9 182.1 48.76 16 183.1 38.59 12 184.0 9.67 3 187.1 5.00 2 192.1 288.17 92 193.3 19.34 6 194.1 41.16 13 196.1 13.34 4 199.1 36.92 12 200.1 36.92 12 204.0 33.59 11 206.1 4.00 1 208.2 119.18 38 209.3 117.50 38 210.1 66.08 21 211.2 7.58 2 212.1 5.50 2 213.1 2.08 1 217.1 4.83 2 217.7 8.92 3 221.2 367.18 118 222.1 55.00 18 224.2 61.83 20 225.2 177.25 57 226.1 11.42 4 227.2 113.92 36 228.1 121.25 39 232.1 129.00 41 235.1 11.25 4 236.1 1.92 1 237.2 149.77 48 239.1 1.92 1 240.2 2.50 1 242.1 9.00 3 243.1 3.67 1 245.1 113.57 36 249.2 172.92 55 250.2 108.67 35 251.2 3.83 1 253.1 2.25 1 260.0 9.33 3 265.1 39.08 13 267.2 682.52 219 269.2 6.83 2 270.1 17.08 5 272.2 3.58 1 277.2 22.42 7 278.1 1.67 1 279.1 62.00 20 280.1 7.58 2 295.2 119.91 38 296.1 49.08 16 297.1 10.83 3 298.2 136.67 44 299.1 12.58 4 305.1 7.00 2 306.3 6.75 2 313.2 149.17 48 323.2 152.91 49 324.2 476.34 153 341.1 64.91 21 361.3 6.33 2 //
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