MassBank Record: KO002531



 L-Citrulline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002531
RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:50 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 C013

CH$NAME: Citrulline CH$NAME: L-Citrulline CH$NAME: 2-Amino-5-ureidovaleric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13N3O3 CH$EXACT_MASS: 175.09569 CH$SMILES: NC(=O)NCCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 CH$LINK: CAS 372-75-8 CH$LINK: CHEBI 16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H CH$LINK: PUBCHEM SID:3621
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 176 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-603badf565140abcd117 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 40.800 39604.0 3 43.000 247525.0 20 53.100 34653.5 3 61.200 39604.0 3 65.700 19802.0 2 68.200 475248.0 38 68.900 29703.0 2 70.000 12529715.5 999 71.800 14851.5 1 73.900 34653.5 3 81.200 14851.5 1 86.300 143564.5 11 91.900 44554.5 4 92.300 34653.5 3 96.500 34653.5 3 117.500 19802.0 2 130.000 14851.5 1 133.300 24752.5 2 //