MassBank Record: KO003143



 Homoarginine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003143
RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:10 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 H073

CH$NAME: Homoarginine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H16N4O2 CH$EXACT_MASS: 188.12733 CH$SMILES: NC(=N)NCCCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H CH$LINK: PUBCHEM SID:5030
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-860f0c1c052c981b2f3b PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 80.600 19802.0 1 84.100 222772.5 1 85.000 34653.5 1 102.400 24752.5 1 110.500 34653.5 1 112.100 39604.0 1 115.900 14851.5 1 125.900 153465.5 1 126.700 123762.5 1 128.200 84158.5 1 130.200 514852.0 2 144.100 1841586.0 8 154.000 79208.0 1 157.300 198020.0 1 171.500 217822.0 1 172.400 1787130.5 8 175.000 19802.0 1 189.300 226312107.5 999 //