ACCESSION: MSBNK-Kazusa-KZ000045
RECORD_TITLE: L-Histidine; GC-EI-TOF; MS; 3 TMS; BP:154
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//