MassBank Record: KZ000052



 L-(-)-Phenylalanine; GC-EI-TOF; MS; 2 TMS; BP:192 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000052
RECORD_TITLE: L-(-)-Phenylalanine; GC-EI-TOF; MS; 2 TMS; BP:192
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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: OC(=O)C([H])(N)Cc(c1)cccc1 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 //

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