ACCESSION: MSBNK-RIKEN-PR010207
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$CHROMATOGRAPHY: RETENTION_INDEX 1862.3
AC$CHROMATOGRAPHY: RETENTION_TIME 487.113 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$SPLASH: splash10-00di-9400000000-c1dc72c6cbc49fbf3454
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  60 9 9
  61 8 8
  63 1 1
  66 5 5
  67 1 1
  70 6 6
  71 4 4
  72 17 17
  73 999 999
  74 90 90
  75 55 55
  76 4 4
  77 11 11
  79 1 1
  83 1 1
  84 25 25
  85 5 5
  86 3 3
  87 3 3
  88 3 3
  89 119 119
  90 10 10
  91 5 5
  98 2 2
  99 2 2
  100 34 34
  101 13 13
  102 5 5
  103 66 66
  104 6 6
  105 7 7
  107 1 1
  111 1 1
  112 1 1
  113 2 2
  114 1 1
  115 3 3
  116 3 3
  117 76 76
  118 7 7
  119 7 7
  125 4 4
  126 3 3
  127 1 1
  128 9 9
  129 7 7
  130 6 6
  131 15 15
  132 3 3
  133 76 76
  134 9 9
  135 4 4
  141 1 1
  142 1 1
  143 1 1
  144 5 5
  145 2 2
  147 161 161
  148 27 27
  149 14 14
  150 1 1
  154 1 1
  155 1 1
  157 1 1
  158 3 3
  159 6 6
  160 1 1
  161 1 1
  163 6 6
  171 1 1
  172 28 28
  173 5 5
  174 3 3
  175 3 3
  177 3 3
  183 1 1
  185 15 15
  186 2 2
  187 1 1
  188 1 1
  189 4 4
  190 6 6
  191 5 5
  192 1 1
  200 1 1
  201 2 2
  203 1 1
  204 3 3
  205 39 39
  206 7 7
  207 3 3
  211 1 1
  217 5 5
  218 1 1
  219 1 1
  221 2 2
  243 7 7
  244 2 2
  258 1 1
  271 6 6
  272 1 1
  273 3 3
  276 3 3
  289 3 3
  291 1 1
  302 1 1
  303 30 30
  304 8 8
  305 3 3
  334 4 4
  335 1 1
  344 1 1
  345 1 1
  347 1 1
  375 1 1
  405 1 1
  406 5 5
  407 2 2
  408 1 1
  435 1 1
  523 2 2
  524 1 1
//