MassBank Record: KO003144



 Homoarginine; 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: KO003144
RECORD_TITLE: Homoarginine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001c-1900000000-1dd352f7b9d2b7d3a725 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 60.100 737624.5 16 67.700 19802.0 1 68.800 94059.5 2 69.900 19802.0 1 81.900 39604.0 1 84.200 15861402.0 350 85.000 282178.5 6 86.300 2064358.5 45 97.000 222772.5 5 97.400 54455.5 1 99.200 59406.0 1 102.200 460396.5 10 104.300 9901.0 1 109.200 371287.5 8 111.100 737624.5 16 112.200 430693.5 9 126.200 4435648.0 98 127.100 826733.5 18 128.300 366337.0 8 128.900 668317.5 15 130.100 12945557.5 285 136.400 49505.0 1 144.200 31514883.0 695 147.200 628713.5 14 154.200 316832.0 7 155.100 762377.0 17 157.200 39604.0 1 171.300 841585.0 19 172.200 10336644.0 228 189.300 45326778.0 999 //