ACCESSION: MSBNK-Kazusa-KZ000052
RECORD_TITLE: L-(-)-Phenylalanine; GC-EI-TOF; MS; 2 TMS; BP:192
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_01575_P000138

CH$NAME: L-Phenylalanine
CH$NAME: L-(-)-Phenylalanine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₉H₁₁NO₂
CH$EXACT_MASS: 165.07898
CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
CH$LINK: CAS 63-91-2
CH$LINK: KEGG C00079
CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID4040763

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 1738.8
AC$CHROMATOGRAPHY: RETENTION_TIME 813.128 sec

MS$FOCUSED_ION: BASE_PEAK 192
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fr6-1930000000-a37fbccaf826443ef70c
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  82 3 3
  83 6 6
  84 33 33
  85 12 12
  86 58 58
  87 18 18
  88 7 7
  89 31 31
  90 18 18
  91 261 261
  92 45 45
  93 11 11
  94 1 1
  95 3 3
  96 1 1
  97 1 1
  98 7 7
  99 6 6
  100 819 819
  101 121 121
  102 60 60
  103 97 97
  104 25 25
  105 27 27
  106 4 4
  107 8 8
  108 1 1
  109 1 1
  110 1 1
  112 1 1
  113 3 3
  114 3 3
  115 31 31
  116 15 15
  117 55 55
  118 28 28
  119 29 29
  120 29 29
  121 29 29
  122 5 5
  123 2 2
  124 1 1
  126 1 1
  127 1 1
  128 7 7
  129 7 7
  130 105 105
  131 89 89
  132 97 97
  133 99 99
  134 23 23
  135 28 28
  136 5 5
  137 2 2
  138 1 1
  139 1 1
  140 1 1
  141 1 1
  142 2 2
  143 4 4
  144 13 13
  145 18 18
  146 44 44
  147 643 643
  148 107 107
  149 57 57
  150 8 8
  151 2 2
  152 1 1
  153 1 1
  154 1 1
  155 1 1
  156 1 1
  157 1 1
  158 9 9
  159 13 13
  160 51 51
  161 19 19
  162 21 21
  163 27 27
  164 5 5
  165 2 2
  172 4 4
  173 2 2
  174 15 15
  175 6 6
  176 29 29
  177 35 35
  178 12 12
  179 3 3
  180 1 1
  188 3 3
  189 1 1
  190 12 12
  191 12 12
  192 999 999
  193 195 195
  194 57 57
  195 8 8
  196 1 1
  202 3 3
  203 13 13
  204 24 24
  205 7 7
  206 2 2
  217 3 3
  218 934 934
  219 226 226
  220 118 118
  221 19 19
  222 4 4
  235 1 1
  251 1 1
  266 110 110
  267 52 52
  268 26 26
  269 6 6
  270 1 1
  276 2 2
  277 1 1
  278 3 3
  279 1 1
  280 1 1
  292 1 1
  294 38 38
  295 10 10
  296 4 4
//