ACCESSION: MSBNK-RIKEN-PR010208
RECORD_TITLE: L-Ascorbic acid; GC-EI-TOF; MS; 4 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$NAME: L-Ascorbic acid
CH$NAME: Ascorbic acid
CH$NAME: Ascorbate
CH$NAME: L-Ascorbate
CH$NAME: Vitamin C
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₈O₆
CH$EXACT_MASS: 176.03209
CH$SMILES: OC[C@H](O)[C@@H](O1)C(O)=C(O)C(=O)1
CH$IUPAC: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
CH$LINK: CAS 50-81-7
CH$LINK: CHEBI 29073
CH$LINK: CHEMPDB ASC
CH$LINK: KEGG C00072
CH$LINK: NIKKAJI J2.301I
CH$LINK: PUBCHEM 3372
CH$LINK: INCHIKEY CIWBSHSKHKDKBQ-JLAZNSOCSA-N
CH$LINK: COMPTOX DTXSID5020106

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$CHROMATOGRAPHY: RETENTION_INDEX 1880.8
AC$CHROMATOGRAPHY: RETENTION_TIME 491.007 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C18H40O6Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 464.1902
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9400000000-b207f4024993c5a74769
PK$NUM_PEAK: 136
PK$PEAK: m/z int. rel.int.
  60 8 8
  61 8 8
  66 5 5
  67 1 1
  70 7 7
  71 3 3
  72 17 17
  73 999 999
  74 90 90
  75 51 51
  76 4 4
  77 12 12
  79 3 3
  82 1 1
  83 1 1
  84 27 27
  85 4 4
  86 3 3
  87 4 4
  88 3 3
  89 103 103
  90 8 8
  91 4 4
  92 1 1
  98 2 2
  99 2 2
  100 33 33
  101 14 14
  102 5 5
  103 60 60
  104 6 6
  105 6 6
  107 1 1
  111 1 1
  112 2 2
  113 2 2
  114 1 1
  115 3 3
  116 4 4
  117 80 80
  118 8 8
  119 7 7
  125 4 4
  126 4 4
  127 1 1
  128 8 8
  129 7 7
  130 6 6
  131 14 14
  132 3 3
  133 72 72
  134 8 8
  135 4 4
  140 1 1
  141 1 1
  142 1 1
  143 1 1
  144 6 6
  145 3 3
  146 1 1
  147 171 171
  148 27 27
  149 16 16
  150 2 2
  151 1 1
  153 1 1
  154 1 1
  155 1 1
  157 1 1
  158 3 3
  159 1 1
  163 6 6
  164 1 1
  165 1 1
  167 1 1
  172 27 27
  173 5 5
  174 3 3
  175 3 3
  177 2 2
  181 1 1
  183 1 1
  184 1 1
  185 14 14
  186 2 2
  187 1 1
  188 1 1
  189 3 3
  190 5 5
  191 6 6
  192 1 1
  200 2 2
  201 2 2
  202 1 1
  204 3 3
  205 40 40
  206 8 8
  207 4 4
  211 1 1
  216 1 1
  217 8 8
  218 2 2
  219 1 1
  221 2 2
  227 2 2
  243 7 7
  244 2 2
  245 1 1
  246 1 1
  255 1 1
  258 2 2
  271 6 6
  272 1 1
  273 3 3
  276 4 4
  277 1 1
  289 4 4
  302 1 1
  303 26 26
  304 8 8
  305 3 3
  307 1 1
  315 1 1
  334 4 4
  335 1 1
  344 1 1
  347 1 1
  375 1 1
  389 1 1
  405 1 1
  406 6 6
  407 2 2
  408 1 1
  433 1 1
  435 1 1
  523 1 1
//