MassBank Record: MSBNK-Keio_Univ-KO001278
ACCESSION: MSBNK-Keio_Univ-KO001278
RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 425
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-005c-1498000000-b0f3dedbbcfaa96ccd3f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
59.100 34653.5 291
97.100 24752.5 208
122.900 29703.0 250
129.200 49505.0 416
140.400 34653.5 291
153.800 39604.0 333
208.300 44554.5 375
223.500 34653.5 291
224.500 29703.0 250
225.200 44554.5 375
228.500 74257.5 624
242.200 29703.0 250
266.200 9901.0 83
270.700 29703.0 250
313.200 64356.5 541
341.500 118812.0 999
383.900 84158.5 708
//
system version 2.2.6-SNAPSHOT