MassBank Record: KO000728



 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: KO000728
RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 356 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-7900000000-9a31fd975e5d2be3f628 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 41.200 123762.5 278 41.800 64356.5 144 43.300 158416.0 355 58.400 49505.0 111 73.100 29703.0 67 82.600 39604.0 89 85.000 74257.5 167 87.100 445545.0 999 99.900 44554.5 100 112.300 158416.0 355 113.900 237624.0 533 126.300 24752.5 56 128.000 34653.5 78 129.500 39604.0 89 152.800 24752.5 56 155.900 39604.0 89 165.000 24752.5 56 168.000 168317.0 377 169.100 89109.0 200 181.800 14851.5 33 185.100 331683.5 744 //

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