MassBank Record: KO002847



 E-64; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002847
RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 358 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ir0-7930000000-bae48c34c06f98cd8b3f PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 60.200 59406.0 23 69.000 316832.0 123 70.100 24752.5 10 71.000 123762.5 48 71.900 2049507.0 798 76.300 9901.0 4 80.900 39604.0 15 84.100 198020.0 77 86.200 698020.5 272 89.000 292079.5 114 97.100 737624.5 287 98.100 44554.5 17 98.900 79208.0 31 100.100 54455.5 21 102.100 69307.0 27 108.900 108911.0 42 111.300 49505.0 19 112.400 39604.0 15 114.000 2564359.0 999 115.000 84158.5 33 116.200 44554.5 17 126.000 34653.5 14 127.100 34653.5 14 130.900 69307.0 27 132.000 891090.0 347 140.000 89109.0 35 141.100 128713.0 50 141.600 14851.5 6 144.100 579208.5 226 153.000 29703.0 12 154.100 39604.0 15 156.200 89109.0 35 158.100 103960.5 41 172.000 306931.0 120 174.900 14851.5 6 182.100 64356.5 25 185.400 29703.0 12 200.400 1995051.5 777 207.200 79208.0 31 210.300 34653.5 14 211.200 39604.0 15 222.600 19802.0 8 225.400 34653.5 14 226.900 29703.0 12 244.300 64356.5 25 271.400 34653.5 14 299.600 113861.5 44 316.300 14851.5 6 //