MassBank Record: MSJ00055



 N-(3-Oxobutyl)-tyrosine; FAB-BE; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00055
RECORD_TITLE: N-(3-Oxobutyl)-tyrosine; FAB-BE; MS; [M+H]+
DATE: 2017.07.13 (2016.11.17)
AUTHORS: , Takahashi, Y., Horiyama, S, Mukogawa Women's University
LICENSE: CC BY
COPYRIGHT: Takahashi, Y., Horiyama, S,Mukogawa Women's University
PUBLICATION: Chem. Pharm. Bull, 2013, 61 (1), pp 85-89. DOI: 10.1248/cpb.c15-00986

CH$NAME: N-(3-Oxobutyl)-tyrosine CH$NAME: [3-(4'-Hydroxyphenyl)-2-(3''-oxobutylamino)-propanoic acid] CH$COMPOUND_CLASS: Natural Product; amino acid derivative CH$FORMULA: C13H17NO4 CH$EXACT_MASS: 251.11576 CH$SMILES: CC(=O)CCNC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C13H17NO4/c1-9(15)6-7-14-12(13(17)18)8-10-2-4-11(16)5-3-10/h2-5,12,14,16H,6-8H2,1H3,(H,17,18) CH$LINK: INCHIKEY UTJBBUZXYRKCRR-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:133052748
AC$INSTRUMENT: JMS-700, JEOL AC$INSTRUMENT_TYPE: FAB-BE AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 keV AC$MASS_SPECTROMETRY: COLLISION_GAS Xe AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX Glycerol
MS$FOCUSED_ION: PRECURSOR_M/Z 252.1230 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004u-9420000000-2fab15cedc23b8328424 PK$NUM_PEAK: 142 PK$PEAK: m/z int. rel.int. 38.9 17 17 40.9 28 28 41.9 9 9 42.9 58 58 43.9 26 26 45 425 425 45.9 14 14 47 30 30 49 8 8 52 11 11 54.9 24 24 55.9 56 56 57 544 544 57.9 35 35 58.9 14 14 59.9 24 24 60.9 56 56 68.9 14 14 70.9 15 15 72 21 21 73 60 60 74 135 135 75.1 994 994 76 37 37 77 13 13 83 9 9 84.9 10 10 86.9 18 18 87.8 27 27 89 13 13 89.9 42 42 91 19 19 92.9 998 998 94 166 166 94.9 36 36 98.9 11 11 99.9 14 14 100.8 11 11 102.9 14 14 104.8 14 14 107 29 29 111.1 7 7 113 8 8 115.1 104 104 116 8 8 116.9 17 17 118.9 7 7 120 7 7 120.9 9 9 122.8 25 25 129 16 16 131 23 23 132 8 8 133 8 8 135 11 11 136 16 16 137.1 16 16 143.9 16 16 144.9 13 13 145.9 10 10 146.7 20 20 147.8 19 19 148.8 15 15 149.9 8 8 150.8 8 8 151.8 17 17 152.9 24 24 161 7 7 162.9 9 9 164 7 7 164.9 28 28 165.9 28 28 166.9 45 45 167.9 15 15 168.9 11 11 179.9 14 14 181.9 26 26 182.9 53 53 185 999 999 186 324 324 187 70 70 188 8 8 194 26 26 195 10 10 197 16 16 198 7 7 199 18 18 203 7 7 204.9 8 8 205.9 14 14 206.9 78 78 207.9 16 16 208.9 10 10 209.8 7 7 214.9 26 26 223 29 29 223.9 7 7 224.9 8 8 228.9 11 11 235.9 8 8 236.9 7 7 238.9 20 20 241 7 7 244 10 10 244.9 19 19 246.8 7 7 249.8 7 7 250.9 11 11 251.9 157 157 252.9 41 41 253.9 26 26 254.9 11 11 256.9 13 13 257.9 7 7 258.9 20 20 265.9 7 7 268 7 7 273.1 7 7 274.7 33 33 277 571 571 278 62 62 278.9 16 16 288.9 7 7 298.9 16 16 307 11 11 315 14 14 320.9 7 7 336.9 21 21 344 21 21 344.9 8 8 348.9 8 8 350.9 8 8 352.8 9 9 367 13 13 369 152 152 370 24 24 371 9 9 391 7 7 428.9 9 9 436.1 8 8 458.9 7 7 460.8 51 51 //

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