MassBank Record: KZ000237



 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: KZ000237
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_04895_P000059

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 1459.9 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: splash10-0006-0910000000-a9127c0e370afb80259b PK$NUM_PEAK: 144 PK$PEAK: m/z int. rel.int. 82 3 3 83 4 4 84 22 22 85 14 14 86 22 22 87 9 9 88 7 7 89 5 5 90 1 1 93 1 1 94 1 1 95 1 1 96 11 11 97 9 9 98 8 8 99 63 63 100 40 40 101 17 17 102 7 7 103 13 13 104 1 1 105 6 6 106 2 2 107 3 3 109 1 1 110 4 4 111 1 1 112 4 4 113 14 14 114 7 7 115 15 15 116 10 10 117 42 42 118 5 5 119 8 8 120 2 2 121 2 2 122 1 1 123 1 1 124 6 6 125 1 1 126 18 18 127 3 3 128 7 7 129 9 9 130 3 3 131 26 26 132 7 7 133 49 49 134 7 7 135 4 4 136 2 2 137 4 4 138 1 1 140 12 12 141 8 8 142 999 999 143 153 153 144 50 50 145 6 6 146 2 2 147 272 272 148 45 45 149 25 25 150 3 3 151 1 1 152 2 2 153 2 2 154 3 3 155 9 9 156 3 3 157 1 1 158 3 3 159 3 3 160 1 1 161 2 2 163 1 1 164 1 1 165 1 1 167 1 1 168 2 2 169 2 2 170 28 28 171 7 7 172 6 6 173 2 2 174 3 3 175 2 2 180 1 1 183 1 1 184 2 2 185 4 4 186 558 558 187 84 84 188 26 26 189 4 4 190 2 2 191 1 1 193 1 1 198 2 2 202 1 1 203 1 1 213 3 3 214 2 2 215 1 1 216 162 162 217 39 39 218 16 16 219 3 3 230 1 1 242 1 1 244 11 11 245 3 3 246 2 2 247 1 1 258 1 1 260 2 2 261 1 1 287 4 4 288 47 47 289 12 12 290 5 5 291 1 1 292 1 1 296 1 1 302 1 1 303 5 5 304 1 1 305 1 1 309 1 1 317 1 1 321 1 1 323 1 1 373 1 1 381 1 1 385 1 1 401 1 1 406 1 1 413 1 1 428 1 1 443 1 1 455 1 1 479 1 1 480 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)