MassBank Record: KO002059



 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: KO002059
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: 2-Aminosuccinamic acid CH$NAME: L-Asparagine CH$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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9100000000-ac6ee5b31d2ca5a78980 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 42.800 59406.0 5 44.100 118812.0 10 46.200 54455.5 5 69.500 84158.5 7 69.900 638614.5 55 72.700 153465.5 13 73.800 11509912.5 999 83.000 49505.0 4 87.000 3524756.0 306 88.200 1524754.0 132 98.000 183168.5 16 98.800 89109.0 8 100.300 49505.0 4 101.200 217822.0 19 116.300 1500001.5 130 133.100 495050.0 43 //