ACCESSION: MSBNK-RIKEN-PR010036
RECORD_TITLE: L-(-)-Phenylalanine; GC-EI-TOF; MS; 2 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$NAME: L-Phenylalanine
CH$NAME: (S)-alpha-Amino-beta-phenylpropionic acid
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: CHEBI 17295
CH$LINK: CHEMPDB PHE
CH$LINK: KEGG C00079
CH$LINK: NIKKAJI J9.175H
CH$LINK: PUBCHEM CID:6140
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$CHROMATOGRAPHY: RETENTION_INDEX 1625.1
AC$CHROMATOGRAPHY: RETENTION_TIME 402.604 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C15H27NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 309.15803
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9630000000-ead0919f9a19d2352d80
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  60 9 9
  61 12 12
  62 3 3
  63 8 8
  64 2 2
  65 36 36
  66 6 6
  67 1 1
  70 7 7
  71 5 5
  72 21 21
  73 999 999
  74 95 95
  75 83 83
  76 8 8
  77 25 25
  78 5 5
  79 4 4
  80 1 1
  83 1 1
  84 6 6
  85 2 2
  86 14 14
  87 4 4
  88 1 1
  89 8 8
  90 4 4
  91 84 84
  92 14 14
  93 4 4
  95 1 1
  98 1 1
  99 1 1
  100 210 210
  101 28 28
  102 14 14
  103 23 23
  104 5 5
  105 6 6
  107 2 2
  115 7 7
  116 3 3
  117 14 14
  118 7 7
  119 7 7
  120 16 16
  121 8 8
  122 1 1
  128 1 1
  129 1 1
  130 30 30
  131 20 20
  132 23 23
  133 25 25
  134 5 5
  135 7 7
  136 1 1
  144 2 2
  145 3 3
  146 11 11
  147 128 128
  148 22 22
  149 11 11
  150 1 1
  158 2 2
  159 3 3
  160 12 12
  161 4 4
  162 4 4
  163 8 8
  164 1 1
  174 4 4
  175 1 1
  176 8 8
  177 11 11
  178 2 2
  188 1 1
  190 3 3
  191 3 3
  192 265 265
  193 46 46
  194 12 12
  195 1 1
  202 1 1
  203 4 4
  204 9 9
  205 2 2
  217 1 1
  218 384 384
  219 74 74
  220 32 32
  221 4 4
  222 1 1
  266 21 21
  267 8 8
  268 3 3
  294 6 6
  295 1 1
//