MassBank Record: KO002845

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E-64; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: KO002845
RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 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 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 358 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0009000000-a3d18085c3f14ec8c62b PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 74.200 138614.0 5 99.400 19802.0 1 101.700 24752.5 1 104.700 19802.0 1 114.200 509901.5 19 130.200 19802.0 1 148.300 232673.5 9 151.900 14851.5 1 173.100 19802.0 1 175.000 29703.0 1 178.800 24752.5 1 192.400 410891.5 15 200.300 79208.0 3 211.200 84158.5 3 231.900 14851.5 1 243.500 14851.5 1 244.300 59406.0 2 270.200 24752.5 1 280.700 14851.5 1 296.700 24752.5 1 298.700 84158.5 3 323.400 133663.5 5 324.400 49505.0 2 330.900 207921.0 8 341.500 341584.5 13 358.600 26980225.0 999 //