ACCESSION: MSBNK-Kazusa-KZ000238
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_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
//