MassBank Record: KO001262



 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: KO001262
RECORD_TITLE: 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 L003

CH$NAME: Leu CH$NAME: L-Leucine CH$NAME: 2-Amino-4-methylvaleric acid CH$NAME: (2S)-alpha-Leucine CH$NAME: (2S)-alpha-2-Amino-4-methylvaleric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13NO2 CH$EXACT_MASS: 131.09463 CH$SMILES: CC(C)C[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 CH$LINK: CAS 61-90-5 CH$LINK: CHEBI 15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C CH$LINK: PUBCHEM SID:3423
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 130 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-0751a9e803a2e7715d1a PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 45.200 44554.5 1 79.100 24752.5 1 82.300 306931.0 8 84.300 930694.0 23 97.300 29703.0 1 112.400 54455.5 1 112.900 217822.0 5 129.300 108911.0 3 130.000 40782219.0 999 //