MassBank Record: KO003145



 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: KO003145
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9300000000-f12f1e8092590e19aa5b PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 42.900 89109.0 2 55.400 39604.0 1 55.900 118812.0 2 56.500 39604.0 1 57.200 89109.0 2 60.000 1648516.5 29 67.200 1019803.0 18 68.900 1168318.0 21 69.900 74257.5 1 71.800 99010.0 2 72.400 74257.5 1 73.900 480198.5 9 76.900 84158.5 1 78.600 9901.0 1 82.200 861387.0 15 84.100 56430749.5 999 85.000 5524758.0 98 86.200 4391093.5 78 87.300 99010.0 2 91.000 29703.0 1 94.300 128713.0 2 95.000 148515.0 3 96.600 64356.5 1 97.200 742575.0 13 99.000 534654.0 9 102.100 1722774.0 30 104.100 138614.0 2 109.200 1094060.5 19 111.000 351485.5 6 112.300 564357.0 10 113.000 69307.0 1 115.100 29703.0 1 119.300 69307.0 1 126.100 1668318.5 30 127.200 287129.0 5 128.000 158416.0 3 129.100 168317.0 3 130.100 3881192.0 69 136.100 24752.5 1 144.200 15014866.5 266 147.000 64356.5 1 155.300 178218.0 3 156.400 59406.0 1 171.500 297030.0 5 172.300 579208.5 10 189.400 673268.0 12 //