MassBank Record: KO003147



 Homoarginine; 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: KO003147
RECORD_TITLE: Homoarginine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-f3a9a39d24ade83542ac PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 41.100 396040.0 35 42.200 108911.0 10 42.900 356436.0 32 44.200 188119.0 17 52.800 19802.0 2 55.200 361386.5 32 56.300 1762378.0 156 57.000 361386.5 32 59.000 297030.0 26 60.100 559406.5 49 65.100 232673.5 21 67.000 2638616.5 233 68.600 84158.5 7 69.200 500000.5 44 71.100 44554.5 4 72.100 138614.0 12 73.200 39604.0 4 74.200 252475.5 22 77.100 242574.5 21 80.300 19802.0 2 82.200 341584.5 30 84.200 11297041.0 999 84.900 500000.5 44 86.000 212871.5 19 91.100 24752.5 2 92.100 24752.5 2 95.300 44554.5 4 99.300 64356.5 6 101.900 29703.0 3 114.900 29703.0 3 144.000 19802.0 2 //