MassBank Record: KZ000155



 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: KZ000155
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_05055_P000046

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 959.562 sec
MS$FOCUSED_ION: BASE_PEAK 154 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-0910000000-fc3ecec9d4ff3aa8cb09 PK$NUM_PEAK: 119 PK$PEAK: m/z int. rel.int. 82 41 41 83 18 18 84 23 23 85 12 12 86 10 10 87 3 3 88 1 1 89 1 1 92 1 1 93 3 3 94 1 1 95 2 2 96 4 4 97 3 3 98 10 10 99 3 3 100 70 70 101 13 13 102 6 6 103 5 5 105 1 1 108 1 1 109 2 2 110 7 7 111 5 5 112 14 14 113 3 3 114 1 1 115 3 3 116 2 2 117 5 5 118 1 1 119 2 2 120 1 1 121 1 1 123 1 1 124 2 2 125 3 3 126 10 10 127 2 2 128 3 3 129 1 1 130 7 7 131 8 8 132 12 12 133 8 8 134 2 2 135 1 1 136 1 1 137 1 1 138 1 1 139 4 4 140 1 1 141 1 1 144 1 1 146 1 1 147 40 40 148 7 7 149 4 4 150 3 3 151 3 3 152 1 1 153 35 35 154 999 999 155 218 218 156 51 51 157 7 7 158 2 2 159 2 2 160 2 2 163 2 2 165 1 1 166 16 16 167 6 6 168 2 2 172 1 1 174 2 2 180 1 1 181 1 1 182 9 9 183 4 4 184 2 2 194 1 1 202 1 1 203 2 2 211 2 2 213 1 1 218 35 35 219 7 7 220 3 3 225 2 2 226 10 10 227 3 3 228 1 1 237 1 1 238 27 27 239 8 8 240 4 4 241 1 1 252 1 1 253 2 2 254 158 158 255 39 39 256 15 15 257 9 9 258 2 2 266 6 6 267 2 2 268 1 1 328 3 3 329 2 2 330 1 1 338 1 1 355 1 1 356 10 10 357 3 3 358 1 1 371 3 3 372 1 1 //

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