ACCESSION: MSBNK-Kazusa-KZ000155
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_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
//