MassBank Record: KO000027



 L-Asparagine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000027
RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-defacc365589bc4437d7 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 41.000 94059.5 71 42.200 1326734.0 999 44.600 14851.5 11 52.400 14851.5 11 58.100 282178.5 212 69.800 69307.0 52 70.600 44554.5 34 71.900 222772.5 168 113.200 34653.5 26 //