MassBank Record: MSBNK-Keio_Univ-KO001277
ACCESSION: MSBNK-Keio_Univ-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
CH$LINK: INCHIKEY
GDBQQVLCIARPGH-UHFFFAOYSA-N
AC$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 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
//