ACCESSION: MSBNK-Keio_Univ-KO002060
RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:30 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
CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID10883220

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 30 V

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

PK$SPLASH: splash10-00di-9000000000-c6f09ae894f786971692
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  37.300 29703.0 4
  43.100 148515.0 20
  44.000 336634.0 46
  44.900 54455.5 7
  46.000 212871.5 29
  52.800 19802.0 3
  60.000 84158.5 11
  70.200 1034654.5 141
  71.000 39604.0 5
  73.900 7346542.0 999
  78.700 9901.0 1
  87.200 282178.5 38
  88.100 292079.5 40
  98.000 64356.5 9
  99.000 74257.5 10
  116.100 118812.0 16
//