MassBank Record: KO001102



 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: KO001102
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-c6d6b6435e521a93b453 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 41.100 59406.0 3 58.900 24752.5 1 73.200 14851.5 1 86.900 49505.0 3 103.200 34653.5 2 111.000 128713.0 7 112.800 9901.0 1 114.700 14851.5 1 125.000 168317.0 9 126.000 123762.5 7 126.900 207921.0 11 128.100 1143565.5 62 142.700 14851.5 1 144.600 1886140.5 102 145.200 18405959.0 999 151.200 900991.0 49 151.900 19802.0 1 170.100 4183172.5 227 187.300 3351488.5 182 //