MassBank Record: KO002058

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L-Asparagine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002058
RECORD_TITLE: L-Asparagine; 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 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: COMPTOX DTXSID10883220
CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N
CH$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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-3900000000-fd0f1034b5c1e40435c0
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  49.5 24752.5 2.0
  55.4 49505.0 5.0
  69.0 212872.0 20.0
  73.0 262376.0 25.0
  73.9 430694.0 41.0
  80.6 34653.5 3.0
  83.1 2019800.0 193.0
  87.0 2495050.0 238.0
  88.1 351486.0 34.0
  100.1 118812.0 11.0
  101.1 1168320.0 111.0
  114.8 64356.5 6.0
  116.2 2252480.0 215.0
  133.1 1.04802E7 999.0
//