MassBank Record: KZ000045



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

ACCESSION: KZ000045
RECORD_TITLE: L-Histidine; 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_01560_P000208

CH$NAME: L-Histidine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H9N3O2 CH$EXACT_MASS: 155.06948 CH$SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)N CH$IUPAC: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 CH$LINK: CAS 71-00-1 CH$LINK: KEGG C00135 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126
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 2097.3 AC$CHROMATOGRAPHY: RETENTION_TIME 962.513 sec
MS$FOCUSED_ION: BASE_PEAK 154 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-0940000000-43b9b035189af65e19cb PK$NUM_PEAK: 133 PK$PEAK: m/z int. rel.int. 82 40 40 83 16 16 85 8 8 86 10 10 87 3 3 95 1 1 96 4 4 97 3 3 98 7 7 99 2 2 100 84 84 101 13 13 102 1 1 105 1 1 110 8 8 111 6 6 112 17 17 114 3 3 115 2 2 116 4 4 117 6 6 118 1 1 119 1 1 123 2 2 124 2 2 125 3 3 126 13 13 127 4 4 128 4 4 130 10 10 131 7 7 132 17 17 133 7 7 134 1 1 135 1 1 136 1 1 138 2 2 139 4 4 140 2 2 141 1 1 142 1 1 144 3 3 145 1 1 146 3 3 147 41 41 148 5 5 149 4 4 150 6 6 151 3 3 152 2 2 153 42 42 154 999 999 155 312 312 156 55 55 157 9 9 158 3 3 159 4 4 160 4 4 162 1 1 163 1 1 165 2 2 166 27 27 167 10 10 168 2 2 169 1 1 170 2 2 172 1 1 174 2 2 175 1 1 180 1 1 181 3 3 182 21 21 183 9 9 184 5 5 185 2 2 190 3 3 191 1 1 195 1 1 197 1 1 199 1 1 201 1 1 202 1 1 203 6 6 206 1 1 210 1 1 211 4 4 212 2 2 213 2 2 217 1 1 218 68 68 219 10 10 220 4 4 223 1 1 224 2 2 225 3 3 226 16 16 227 4 4 228 3 3 237 3 3 238 42 42 239 16 16 240 6 6 241 1 1 252 3 3 253 3 3 254 453 453 255 90 90 256 27 27 257 21 21 258 4 4 264 1 1 266 15 15 267 4 4 268 1 1 280 1 1 282 2 2 284 1 1 326 1 1 327 1 1 328 9 9 329 5 5 330 2 2 338 3 3 339 2 2 340 1 1 354 1 1 355 1 1 356 36 36 357 11 11 358 2 2 371 8 8 372 2 2 373 1 1 //

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