MassBank Record: KO002530



 L-Citrulline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002530
RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 176 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-67e60567f5c062728350 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 43.100 366337.0 11 44.700 24752.5 1 55.100 59406.0 2 57.400 69307.0 2 59.300 9901.0 1 60.900 173267.5 5 67.100 19802.0 1 67.900 584159.0 18 70.000 32653498.0 999 71.100 148515.0 5 72.900 64356.5 2 83.900 79208.0 2 86.200 529703.5 16 87.700 19802.0 1 91.700 54455.5 2 93.300 39604.0 1 94.900 34653.5 1 96.300 118812.0 4 96.500 44554.5 1 98.100 74257.5 2 98.600 54455.5 2 104.800 24752.5 1 113.200 559406.5 17 113.900 128713.0 4 116.900 14851.5 1 130.700 54455.5 2 134.200 168317.0 5 159.500 29703.0 1 //