MassBank Record: KO001103



 Homoarginine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001103
RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-e278e373c633748b7f2a PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 41.100 252475.5 37 57.900 59406.0 9 71.300 14851.5 2 72.100 29703.0 4 96.800 128713.0 19 99.400 94059.5 14 126.000 143564.5 21 126.300 133663.5 20 128.100 514852.0 76 145.200 6732680.0 999 151.100 188119.0 28 169.900 113861.5 17 187.200 29703.0 4 //