ACCESSION: MSBNK-Kazusa-KZ000237
RECORD_TITLE: L-(-)-Proline; GC-EI-TOF; MS; 2 TMS; BP:142
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//