MassBank Record: KO000244



 N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000244
RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:20 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 A145

CH$NAME: N-Acetylleucine CH$NAME: N-Acetyl-L-Leucine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H15NO3 CH$EXACT_MASS: 173.10519 CH$SMILES: CC(C)C[C@H](NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI 17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D CH$LINK: PUBCHEM SID:5673
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 172 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-fdb9099645f68121fb32 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 35.200 202970.5 1 43.200 34653.5 1 58.100 1188120.0 2 58.800 54455.5 1 73.700 64356.5 1 78.400 29703.0 1 82.200 1524754.0 3 84.300 326733.0 1 84.800 153465.5 1 88.900 14851.5 1 89.600 24752.5 1 99.100 79208.0 1 100.300 24752.5 1 104.200 341584.5 1 110.200 257426.0 1 112.000 871288.0 2 113.100 128713.0 1 126.300 99010.0 1 128.100 11227734.0 24 128.600 900991.0 2 130.100 476079684.0 999 131.500 14851.5 1 154.100 232673.5 1 172.300 42351527.5 89 //