MassBank Record: PR010038



 L-Tyrosine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010038
RECORD_TITLE: L-Tyrosine; 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$NAME: L-Tyrosine CH$NAME: (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid CH$NAME: (S)-3-(p-Hydroxyphenyl)alanine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C9H11NO3 CH$EXACT_MASS: 181.07389 CH$SMILES: OC(=O)C(N)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 CH$LINK: CAS 60-18-4 CH$LINK: CHEBI 17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A CH$LINK: PUBCHEM 3382
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$CHROMATOGRAPHY: RETENTION_INDEX 1932.3 AC$CHROMATOGRAPHY: RETENTION_TIME 469.708 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C18H35NO3Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 397.19247 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00xr-9450000000-6d4550940f4dde6f18ff PK$NUM_PEAK: 125 PK$PEAK: m/z int. rel.int. 60 5 5 61 8 8 62 1 1 63 3 3 64 1 1 65 4 4 66 3 3 67 1 1 70 4 4 71 3 3 72 17 17 73 999 999 74 93 93 75 75 75 76 7 7 77 19 19 78 5 5 79 6 6 82 2 2 83 2 2 84 3 3 85 3 3 86 9 9 87 3 3 88 1 1 89 9 9 90 7 7 91 17 17 92 2 2 93 1 1 95 2 2 98 1 1 99 1 1 100 202 202 101 26 26 102 11 11 103 12 12 104 3 3 105 9 9 106 1 1 107 2 2 109 1 1 115 8 8 116 3 3 117 11 11 118 6 6 119 6 6 120 1 1 121 2 2 123 1 1 128 1 1 129 1 1 130 18 18 131 14 14 132 21 21 133 23 23 134 5 5 135 9 9 136 1 1 137 1 1 144 2 2 145 3 3 146 6 6 147 93 93 148 18 18 149 21 21 150 3 3 151 3 3 158 2 2 159 3 3 160 5 5 161 3 3 162 2 2 163 16 16 164 6 6 165 8 8 166 1 1 172 1 1 174 5 5 175 3 3 176 6 6 177 6 6 178 1 1 179 53 53 180 12 12 181 4 4 182 1 1 188 1 1 190 3 3 191 2 2 192 11 11 193 3 3 194 1 1 202 1 1 203 4 4 204 1 1 205 1 1 206 1 1 207 4 4 208 1 1 209 1 1 217 1 1 218 537 537 219 107 107 220 48 48 221 6 6 222 1 1 223 1 1 248 1 1 250 1 1 264 1 1 265 6 6 266 2 2 267 1 1 278 1 1 279 3 3 280 49 49 281 13 13 282 5 5 292 1 1 354 11 11 355 5 5 356 2 2 382 5 5 383 2 2 //