MassBank Record: KZ000238



 L-(-)-Proline; GC-EI-TOF; MS; 2 TMS; BP:142 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000238
RECORD_TITLE: L-(-)-Proline; GC-EI-TOF; MS; 2 TMS; BP:142
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_05066_P000047

CH$NAME: L-Proline CH$NAME: L-(-)-Proline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H9NO2 CH$EXACT_MASS: 115.06333 CH$SMILES: OC(=O)C([H])(C1)NCC1 CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 147-85-3 CH$LINK: KEGG C00148 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 821.341 sec
MS$FOCUSED_ION: BASE_PEAK 142 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000f-0910000000-3195f21e625520d51316 PK$NUM_PEAK: 112 PK$PEAK: m/z int. rel.int. 82 5 5 83 7 7 84 25 25 85 17 17 86 22 22 87 9 9 88 7 7 89 4 4 90 1 1 92 1 1 93 4 4 94 2 2 95 3 3 96 10 10 97 6 6 98 18 18 99 59 59 100 37 37 101 17 17 102 9 9 103 6 6 104 1 1 105 4 4 106 1 1 107 3 3 108 1 1 110 3 3 111 2 2 112 4 4 113 14 14 114 5 5 115 14 14 116 10 10 117 38 38 118 6 6 119 6 6 120 2 2 121 1 1 122 1 1 123 1 1 124 4 4 125 2 2 126 17 17 127 2 2 128 6 6 130 2 2 131 23 23 132 6 6 133 43 43 134 7 7 135 4 4 136 2 2 137 4 4 138 1 1 139 1 1 140 12 12 141 7 7 142 999 999 143 148 148 144 46 46 145 5 5 146 2 2 147 251 251 148 42 42 149 22 22 150 2 2 152 1 1 154 2 2 156 1 1 158 2 2 159 3 3 160 1 1 161 1 1 166 1 1 167 1 1 168 1 1 169 1 1 170 21 21 171 5 5 172 4 4 173 1 1 174 2 2 176 1 1 184 2 2 185 4 4 186 585 585 187 85 85 188 27 27 190 1 1 198 2 2 199 1 1 200 1 1 213 3 3 214 2 2 215 1 1 216 165 165 217 32 32 218 14 14 219 2 2 244 9 9 245 2 2 246 1 1 260 2 2 261 1 1 287 5 5 288 54 54 289 13 13 290 5 5 291 1 1 302 1 1 303 4 4 304 1 1 //

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