MassBank Record: KO002482



 Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002482
RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 307 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-4900000000-2525779d142495b40a05 PK$NUM_PEAK: 73 PK$PEAK: m/z int. rel.int. 43.000 554456.0 2 43.900 89109.0 1 45.200 103960.5 1 53.200 59406.0 1 55.200 1059407.0 4 56.000 64356.5 1 57.100 198020.0 1 57.400 49505.0 1 59.200 103960.5 1 60.100 980199.0 4 68.000 816832.5 3 69.200 287129.0 1 70.100 32762409.0 138 71.100 17366354.0 73 72.100 5029708.0 21 73.200 930694.0 4 74.200 118812.0 1 75.200 79208.0 1 77.100 50014901.5 211 77.900 163366.5 1 79.300 1816833.5 8 80.300 252475.5 1 80.900 391089.5 2 82.000 79208.0 1 83.300 44554.5 1 84.900 549505.5 2 86.100 99010.0 1 87.100 138614.0 1 88.100 49505.0 1 91.100 188119.0 1 95.000 12792092.0 54 96.200 415842.0 2 97.100 1965348.5 8 98.100 1648516.5 7 99.000 2059408.0 9 102.300 39604.0 1 102.900 94059.5 1 104.100 3782182.0 16 105.100 236831920.0 999 106.000 84158.5 1 109.900 69307.0 1 112.200 876238.5 4 113.200 1559407.5 7 114.200 1292080.5 5 115.200 133663.5 1 116.300 193069.5 1 117.200 29703.0 1 117.600 24752.5 1 119.400 54455.5 1 121.500 39604.0 1 122.300 4544559.0 19 124.000 79208.0 1 125.300 14851.5 1 127.000 158416.0 1 130.200 628713.5 3 131.000 64356.5 1 134.000 24752.5 1 141.200 99010.0 1 141.900 202970.5 1 144.300 212871.5 1 145.500 29703.0 1 147.200 39604.0 1 156.200 89109.0 1 158.300 108911.0 1 169.300 24752.5 1 171.300 24752.5 1 173.300 188119.0 1 174.300 425743.0 2 197.800 59406.0 1 202.200 64356.5 1 219.300 361386.5 2 220.600 158416.0 1 248.500 59406.0 1 //