MassBank Record: PR010036



 L-(-)-Phenylalanine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$SMILES: OC(=O)C([H])(N)Cc(c1)cccc1 CH$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: CHEBI 17295 CH$LINK: CHEMPDB PHE CH$LINK: KEGG C00079 CH$LINK: NIKKAJI J9.175H CH$LINK: PUBCHEM 3379
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 //