ACCESSION: MSBNK-RIKEN-PR010033
RECORD_TITLE: L-Histidine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 5934-29-2
CH$LINK: NIKKAJI J98.181H
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$CHROMATOGRAPHY: RETENTION_INDEX 1913.1
AC$CHROMATOGRAPHY: RETENTION_TIME 465.881 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C15H33N3O2Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 371.18806
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fk9-8910000000-a3231b1a418b5798ecac
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  60 7 7
  61 6 6
  62 1 1
  63 1 1
  66 2 2
  67 2 2
  69 2 2
  70 10 10
  71 6 6
  72 23 23
  73 999 999
  74 92 92
  75 71 71
  76 6 6
  77 23 23
  78 3 3
  79 14 14
  80 2 2
  81 16 16
  82 39 39
  83 16 16
  84 20 20
  85 11 11
  86 9 9
  87 2 2
  89 1 1
  92 1 1
  93 2 2
  94 1 1
  95 2 2
  96 4 4
  97 3 3
  98 9 9
  99 3 3
  100 59 59
  101 11 11
  102 5 5
  103 4 4
  105 1 1
  108 1 1
  109 2 2
  110 7 7
  111 4 4
  112 13 13
  113 3 3
  114 1 1
  115 2 2
  116 2 2
  117 4 4
  118 1 1
  119 1 1
  120 1 1
  121 1 1
  123 1 1
  124 2 2
  125 3 3
  126 11 11
  127 2 2
  128 3 3
  129 1 1
  130 7 7
  131 8 8
  132 13 13
  133 9 9
  134 2 2
  135 1 1
  136 1 1
  137 1 1
  138 1 1
  139 5 5
  140 2 2
  141 1 1
  144 1 1
  146 1 1
  147 39 39
  148 6 6
  149 3 3
  150 3 3
  151 2 2
  152 1 1
  153 28 28
  154 864 864
  155 180 180
  156 45 45
  157 5 5
  158 2 2
  159 2 2
  160 1 1
  163 1 1
  165 1 1
  166 13 13
  167 5 5
  168 1 1
  174 2 2
  180 1 1
  181 1 1
  182 7 7
  183 3 3
  184 2 2
  203 2 2
  211 1 1
  218 35 35
  219 6 6
  220 3 3
  225 2 2
  226 10 10
  227 3 3
  228 1 1
  238 23 23
  239 7 7
  240 3 3
  241 1 1
  252 1 1
  253 1 1
  254 132 132
  255 33 33
  256 12 12
  257 7 7
  258 1 1
  266 5 5
  267 1 1
  328 3 3
  329 1 1
  338 1 1
  356 9 9
  357 3 3
  358 1 1
  371 3 3
  372 1 1
//