MassBank Record: KZ000047



 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: KZ000047
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_01562_P000202

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 2088.9 AC$CHROMATOGRAPHY: RETENTION_TIME 953.913 sec
MS$FOCUSED_ION: BASE_PEAK 154 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-1920000000-a03e2c4f8b2c9d6a1635 PK$NUM_PEAK: 140 PK$PEAK: m/z int. rel.int. 82 68 68 83 28 28 84 39 39 85 18 18 86 16 16 87 5 5 88 1 1 89 1 1 92 1 1 93 3 3 94 1 1 95 4 4 96 7 7 97 6 6 98 15 15 99 5 5 100 98 98 101 18 18 102 8 8 103 8 8 104 1 1 105 2 2 107 1 1 108 1 1 109 3 3 110 12 12 111 8 8 112 22 22 113 5 5 114 2 2 115 5 5 116 3 3 117 7 7 118 2 2 119 2 2 120 2 2 121 2 2 122 1 1 123 3 3 124 3 3 125 5 5 126 15 15 127 3 3 128 5 5 129 2 2 130 13 13 131 15 15 132 24 24 133 16 16 134 4 4 135 3 3 136 2 2 137 2 2 138 3 3 139 8 8 140 3 3 141 2 2 142 1 1 143 1 1 144 2 2 146 2 2 147 59 59 148 10 10 149 5 5 150 5 5 151 4 4 152 2 2 153 48 48 154 999 999 155 239 239 156 57 57 157 8 8 158 3 3 159 4 4 160 3 3 161 1 1 163 2 2 164 1 1 165 3 3 166 24 24 167 9 9 168 2 2 169 1 1 170 1 1 172 1 1 174 3 3 175 1 1 180 3 3 181 3 3 182 16 16 183 6 6 184 3 3 185 1 1 190 1 1 192 1 1 193 1 1 194 1 1 195 1 1 197 1 1 202 1 1 203 5 5 204 1 1 211 3 3 212 1 1 213 1 1 218 50 50 219 10 10 220 4 4 223 1 1 224 1 1 225 3 3 226 14 14 227 5 5 228 2 2 237 1 1 238 39 39 239 11 11 240 5 5 241 1 1 252 1 1 253 3 3 254 179 179 255 44 44 256 17 17 257 11 11 258 2 2 259 1 1 266 8 8 267 2 2 268 1 1 328 5 5 329 2 2 330 1 1 338 1 1 355 1 1 356 13 13 357 4 4 358 2 2 371 3 3 372 1 1 //

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