MassBank Record: KO008952

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E-64; LC-ESI-IT; MS3; m/z: 358/330; [M+H]+
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

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 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 0.95/0.95
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 //