MassBank Record: KO002338



 N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002338
RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:10 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0adi-0900000000-cedccfd459609718718d PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 68.900 14851.5 2 74.200 465347.0 68 75.100 19802.0 3 78.000 1074258.5 156 80.900 64356.5 9 83.200 39604.0 6 85.100 24752.5 4 86.100 391089.5 57 87.200 24752.5 4 93.300 19802.0 3 96.100 306931.0 45 99.000 44554.5 6 99.200 29703.0 4 105.700 79208.0 12 110.300 24752.5 4 112.800 89109.0 13 114.000 1846536.5 268 121.000 163366.5 24 124.500 14851.5 2 128.200 3539607.5 514 132.100 1564358.0 227 138.000 59406.0 9 139.200 603961.0 88 142.400 44554.5 6 156.300 2400992.5 349 157.100 5643570.0 820 174.200 6876244.5 999 //