MassBank Record: KO002848



 E-64; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002848
RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID E015

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 SID:4546
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 358 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9200000000-5ed938f71914b01cbfcd PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 55.300 29703.0 15 69.200 826733.5 407 70.900 287129.0 141 72.200 2029705.0 999 81.100 39604.0 19 82.000 14851.5 7 84.100 217822.0 107 85.700 39604.0 19 86.300 539604.5 266 88.100 94059.5 46 88.300 24752.5 12 89.100 262376.5 129 97.300 351485.5 173 99.000 49505.0 24 100.900 133663.5 66 110.100 34653.5 17 111.400 14851.5 7 112.100 64356.5 32 114.000 465347.0 229 115.400 19802.0 10 127.000 24752.5 12 131.900 306931.0 151 141.200 34653.5 17 144.200 222772.5 110 156.400 14851.5 7 158.200 64356.5 32 164.400 24752.5 12 182.900 39604.0 19 200.500 94059.5 46 //