MassBank Record: KO000392



 L-Citrulline; 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: KO000392
RECORD_TITLE: L-Citrulline; 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 C013

CH$NAME: Citrulline CH$NAME: 2-Amino-5-ureidovaleric acid CH$NAME: L-Citrulline CH$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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-4aca1022c393602a297d PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 42.000 79208.0 1 85.000 79208.0 1 85.500 49505.0 1 113.200 79208.0 1 114.300 168317.0 3 115.100 198020.0 3 130.400 876238.5 14 131.000 62574320.0 999 132.100 2188121.0 35 143.600 14851.5 1 146.100 79208.0 1 156.900 128713.0 2 159.000 183168.5 3 174.200 1504952.0 24 //