MassBank Record: KO000025



 L-Asparagine; 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: KO000025
RECORD_TITLE: L-Asparagine; 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 A016

CH$NAME: Asn CH$NAME: L-Asparagine CH$NAME: 2-Aminosuccinamic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H8N2O3 CH$EXACT_MASS: 132.05349 CH$SMILES: NC(=O)C[C@@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 CH$LINK: CAS 70-47-3 CH$LINK: CHEBI 17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B CH$LINK: PUBCHEM SID:3452
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 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-5900000000-0cb113c77622352647eb PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 41.900 371287.5 40 54.900 39604.0 4 58.200 658416.5 71 70.000 3668320.5 394 70.800 1099011.0 118 71.900 1094060.5 118 72.500 64356.5 7 85.000 138614.0 15 86.300 69307.0 7 87.400 178218.0 19 95.300 2079210.0 223 96.100 178218.0 19 96.400 24752.5 3 99.000 108911.0 12 113.300 5920798.0 636 114.000 9297039.0 999 131.000 1628714.5 175 //