MassBank Record: KO001277



 Leupeptin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001277
RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID L006

CH$NAME: Leupeptin CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H38N6O4 CH$EXACT_MASS: 426.29545 CH$SMILES: NC(=N)NCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O CH$IUPAC: InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23) CH$LINK: CAS 24365-47-7 CH$LINK: KEGG C01591 CH$LINK: NIKKAJI J93.946C CH$LINK: PUBCHEM SID:4746
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 425 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0059-1058900000-1b447fc49cfe042d73bd PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 59.000 34653.5 89 79.200 19802.0 51 128.300 14851.5 38 205.000 19802.0 51 223.900 19802.0 51 226.800 14851.5 38 228.600 24752.5 63 270.400 89109.0 228 284.800 79208.0 202 341.400 34653.5 89 365.500 49505.0 126 383.600 292079.5 746 425.400 391089.5 999 //