ACCESSION: MSBNK-RIKEN-PR010206
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$CHROMATOGRAPHY: RETENTION_INDEX 1853.2
AC$CHROMATOGRAPHY: RETENTION_TIME 485.199 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$SPLASH: splash10-00di-9400000000-8ff8f48bfa2dd4fd3cf5
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  60 7 7
  61 7 7
  63 1 1
  66 5 5
  67 1 1
  70 7 7
  71 4 4
  72 18 18
  73 999 999
  74 91 91
  75 51 51
  76 3 3
  77 11 11
  78 1 1
  79 2 2
  80 1 1
  82 1 1
  83 1 1
  84 32 32
  85 5 5
  86 3 3
  87 3 3
  88 3 3
  89 78 78
  90 6 6
  91 3 3
  96 1 1
  98 2 2
  99 2 2
  100 21 21
  101 14 14
  102 4 4
  103 54 54
  104 5 5
  105 7 7
  107 1 1
  111 1 1
  112 2 2
  113 2 2
  114 1 1
  115 3 3
  116 3 3
  117 78 78
  118 8 8
  119 6 6
  125 5 5
  126 4 4
  127 2 2
  128 5 5
  129 6 6
  130 5 5
  131 14 14
  132 2 2
  133 86 86
  134 11 11
  135 5 5
  141 1 1
  142 1 1
  143 2 2
  144 3 3
  145 1 1
  147 168 168
  148 26 26
  149 16 16
  150 2 2
  153 1 1
  154 1 1
  155 1 1
  157 1 1
  158 5 5
  159 1 1
  160 1 1
  161 1 1
  163 7 7
  164 1 1
  165 1 1
  172 20 20
  173 4 4
  174 2 2
  175 5 5
  176 1 1
  177 1 1
  183 1 1
  184 1 1
  185 7 7
  186 2 2
  188 1 1
  189 4 4
  190 13 13
  191 6 6
  192 1 1
  200 1 1
  201 2 2
  202 1 1
  204 3 3
  205 38 38
  206 7 7
  207 4 4
  211 1 1
  216 1 1
  217 6 6
  218 1 1
  221 1 1
  243 3 3
  244 1 1
  246 1 1
  255 1 1
  271 3 3
  272 1 1
  273 1 1
  276 11 11
  277 2 2
  278 1 1
  289 11 11
  290 3 3
  291 1 1
  302 1 1
  303 26 26
  304 8 8
  305 3 3
  334 4 4
  335 1 1
  344 1 1
  347 1 1
  375 1 1
  376 1 1
  406 4 4
  407 1 1
  435 1 1
//