MassBank Record: KO008951

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 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 0.90/0.95
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
//