MassBank Record: PR010035



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

ACCESSION: PR010035
RECORD_TITLE: L-Methionine; 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$NAME: L-Methionine CH$NAME: L-2-Amino-4methylthiobutyric acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H11NO2S CH$EXACT_MASS: 149.05105 CH$SMILES: N[C@@H](CCSC)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 63-68-3 CH$LINK: CHEBI 16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J CH$LINK: PUBCHEM 3373
AC$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 1513.9 AC$CHROMATOGRAPHY: RETENTION_TIME 375.28 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H27NO2SSi2 MS$FOCUSED_ION: DERIVATIVE_MASS 293.1301 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00b9-7910000000-5a1558fbb2f5e86edc9b PK$NUM_PEAK: 124 PK$PEAK: m/z int. rel.int. 60 28 28 61 450 450 62 16 16 63 21 21 65 1 1 66 9 9 67 2 2 69 1 1 70 18 18 71 10 10 72 30 30 73 999 999 74 111 111 75 147 147 76 14 14 77 35 35 78 3 3 79 6 6 80 1 1 82 5 5 83 7 7 84 11 11 85 11 11 86 22 22 87 12 12 88 8 8 89 5 5 90 2 2 91 8 8 92 2 2 93 2 2 95 1 1 96 3 3 97 2 2 98 16 16 99 4 4 100 105 105 101 24 24 102 22 22 103 29 29 104 18 18 105 30 30 106 4 4 107 4 4 110 1 1 112 10 10 113 4 4 114 46 46 115 15 15 116 10 10 117 15 15 118 5 5 119 6 6 120 1 1 121 1 1 126 3 3 127 2 2 128 665 665 129 90 90 130 48 48 131 28 28 132 21 21 133 30 30 134 6 6 135 2 2 140 2 2 141 2 2 142 3 3 143 1 1 144 9 9 145 2 2 146 6 6 147 155 155 148 26 26 149 14 14 150 2 2 151 2 2 154 1 1 155 1 1 156 3 3 157 4 4 158 4 4 159 3 3 160 25 25 161 4 4 162 3 3 163 3 3 164 1 1 172 3 3 173 3 3 174 8 8 175 2 2 176 832 832 177 116 116 178 64 64 179 7 7 180 1 1 186 1 1 188 25 25 189 3 3 190 2 2 202 36 36 203 17 17 204 5 5 205 2 2 216 1 1 218 32 32 219 65 65 220 14 14 221 7 7 230 4 4 231 1 1 232 13 13 233 2 2 234 1 1 250 35 35 251 8 8 252 5 5 263 3 3 278 3 3 293 40 40 294 9 9 295 5 5 296 1 1 //