ACCESSION: MSBNK-Keio_Univ-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
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 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
//