MassBank Record: KO000724



 E-64; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000724
RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:10 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 356 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0009000000-ea40adc968492cd43266 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 86.900 39604.0 4 141.000 54455.5 5 145.700 39604.0 4 192.500 64356.5 6 200.700 14851.5 1 209.200 49505.0 5 219.900 29703.0 3 226.000 524753.0 52 245.000 143564.5 14 266.500 29703.0 3 268.100 79208.0 8 274.200 74257.5 7 274.700 9901.0 1 275.900 19802.0 2 283.900 39604.0 4 294.000 29703.0 3 294.800 44554.5 4 296.400 19802.0 2 312.500 247525.0 25 318.000 29703.0 3 319.900 44554.5 4 320.600 74257.5 7 320.900 19802.0 2 338.300 128713.0 13 356.700 10064366.5 999 //