MassBank Record: KO000393



 L-Citrulline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000393
RECORD_TITLE: L-Citrulline; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-322d7f0082e7d5c6ebee PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 42.200 262376.5 13 59.200 24752.5 1 83.400 277228.0 14 84.500 44554.5 2 85.100 331683.5 16 113.300 198020.0 10 115.300 653466.0 32 129.800 54455.5 3 131.000 20336654.0 999 131.900 1490100.5 73 142.100 232673.5 11 143.600 14851.5 1 156.500 14851.5 1 159.100 153465.5 8 174.500 19802.0 1 //