MassBank Record: KZ000157



 L-Homocarnosine; GC-EI-TOF; MS; 3 TMS; BP:154 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000157
RECORD_TITLE: L-Homocarnosine; GC-EI-TOF; MS; 3 TMS; BP:154
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05461_P000039

CH$NAME: L-Homocarnosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H16N4O3 CH$EXACT_MASS: 240.12224 CH$SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1 CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 951.613 sec
MS$FOCUSED_ION: BASE_PEAK 154 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-0920000000-e48ce78a12a5f4834686 PK$NUM_PEAK: 131 PK$PEAK: m/z int. rel.int. 82 46 46 83 19 19 84 26 26 85 13 13 86 11 11 87 3 3 88 1 1 89 1 1 92 1 1 93 4 4 94 1 1 95 3 3 96 5 5 97 4 4 98 11 11 99 4 4 100 80 80 101 15 15 102 7 7 103 6 6 104 1 1 105 1 1 108 1 1 109 2 2 110 9 9 111 6 6 112 18 18 113 4 4 114 2 2 115 4 4 116 2 2 117 6 6 118 2 2 119 2 2 120 1 1 121 1 1 123 2 2 124 3 3 125 4 4 126 13 13 127 3 3 128 4 4 129 1 1 130 11 11 131 14 14 132 21 21 133 14 14 134 3 3 135 2 2 136 1 1 137 2 2 138 2 2 139 6 6 140 2 2 141 3 3 142 1 1 143 1 1 144 2 2 146 1 1 147 50 50 148 9 9 149 5 5 150 4 4 151 3 3 152 2 2 153 42 42 154 999 999 155 239 239 156 60 60 157 8 8 158 3 3 159 3 3 160 3 3 161 1 1 163 2 2 164 1 1 165 2 2 166 20 20 167 7 7 168 2 2 169 1 1 170 1 1 172 1 1 174 3 3 180 2 2 181 2 2 182 10 10 183 5 5 184 2 2 190 1 1 193 1 1 194 1 1 197 1 1 202 1 1 203 4 4 204 1 1 211 2 2 213 1 1 218 49 49 219 9 9 220 4 4 223 1 1 224 1 1 225 2 2 226 13 13 227 4 4 228 2 2 237 1 1 238 34 34 239 10 10 240 4 4 241 1 1 252 1 1 253 2 2 254 179 179 255 43 43 256 17 17 257 11 11 258 2 2 266 8 8 267 2 2 268 1 1 328 4 4 329 2 2 330 1 1 338 1 1 356 13 13 357 4 4 358 2 2 371 3 3 372 1 1 //

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