MassBank Record: KO002478



 Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002478
RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:10 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 B026

CH$NAME: Na-Benzenolarginine ethylester CH$NAME: Bz-Arg-OEt CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H22N4O3 CH$EXACT_MASS: 306.16919 CH$SMILES: CCOC(=O)C(CCCNC(N)=N)NC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18) CH$LINK: KEGG C01670 CH$LINK: PUBCHEM SID:4815
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 307 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0009000000-4d78317bf81fb3984353 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 105.000 158416.0 1 130.700 24752.5 1 141.300 74257.5 1 142.000 94059.5 1 157.000 9901.0 1 161.300 14851.5 1 174.000 99010.0 1 178.300 4470301.5 4 187.100 757426.5 1 196.500 29703.0 1 201.200 153465.5 1 216.500 113861.5 1 217.300 64356.5 1 219.400 331683.5 1 220.100 84158.5 1 228.000 29703.0 1 236.900 39604.0 1 244.300 326733.0 1 247.400 1346536.0 1 248.400 1445546.0 1 253.800 24752.5 1 256.900 14851.5 1 260.900 183168.5 1 262.400 74257.5 1 265.300 138614.0 1 269.400 301980.5 1 271.500 84158.5 1 273.400 500000.5 1 275.200 14851.5 1 279.400 143564.5 1 290.300 3861390.0 3 307.500 1147763524.0 999 308.400 54455.5 1 //