ACCESSION: MSBNK-Osaka_Univ-OUF00291
RECORD_TITLE: Kojic acid; GC-EI-TOF; MS; n TMS; RT:637.333 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: Kojic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₆O₄
CH$EXACT_MASS: 142.02661
CH$SMILES: OCC(O1)=CC(=O)C(O)=C1
CH$IUPAC: InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
CH$LINK: CAS 501-30-4
CH$LINK: CHEBI 132813 43572
CH$LINK: CHEMSPIDER 3708
CH$LINK: KEGG C14516
CH$LINK: PUBCHEM CID:3840
CH$LINK: INCHIKEY BEJNERDRQOWKJM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2040236

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1677.999
AC$CHROMATOGRAPHY: RETENTION_TIME 637.333 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00dj-1940000000-7a8f18adc19d5275d098
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  85 75 75
  86 11 11
  87 20 20
  88 6 6
  89 16 16
  90 2 2
  91 18 18
  92 9 9
  93 12 12
  94 7 7
  95 46 46
  96 13 13
  97 75 75
  98 72 72
  99 103 103
  100 19 19
  101 18 18
  102 5 5
  103 27 27
  104 4 4
  105 15 15
  106 6 6
  107 13 13
  108 3 3
  109 20 20
  110 6 6
  111 99 99
  112 19 19
  113 65 65
  114 11 11
  115 19 19
  116 6 6
  117 17 17
  118 3 3
  119 15 15
  120 8 8
  121 6 6
  122 2 2
  123 12 12
  124 8 8
  125 19 19
  126 31 31
  127 15 15
  128 211 211
  129 42 42
  130 3 3
  131 19 19
  132 5 5
  133 121 121
  134 18 18
  135 22 22
  136 5 5
  137 9 9
  138 3 3
  139 37 37
  140 8 8
  141 106 106
  142 16 16
  143 19 19
  144 3 3
  145 3 3
  146 1 1
  147 802 802
  148 131 131
  149 80 80
  150 12 12
  151 14 14
  152 17 17
  153 176 176
  154 43 43
  155 56 56
  156 11 11
  157 38 38
  158 7 7
  159 6 6
  161 5 5
  163 1 1
  165 2 2
  166 3 3
  167 29 29
  168 15 15
  169 73 73
  170 15 15
  171 8 8
  172 1 1
  173 2 2
  177 1 1
  179 10 10
  180 2 2
  181 20 20
  182 37 37
  183 88 88
  184 15 15
  185 6 6
  187 1 1
  189 1 1
  190 1 1
  193 1 1
  194 2 2
  195 6 6
  196 6 6
  197 111 111
  198 19 19
  199 12 12
  200 3 3
  201 2 2
  204 33 33
  205 7 7
  206 3 3
  207 1 1
  209 3 3
  210 2 2
  211 2 2
  213 1 1
  214 1 1
  215 3 3
  216 1 1
  217 6 6
  218 1 1
  219 1 1
  220 1 1
  222 1 1
  223 1 1
  224 3 3
  225 3 3
  226 1 1
  227 2 2
  228 1 1
  229 2 2
  230 1 1
  232 1 1
  237 1 1
  238 1 1
  239 2 2
  240 1 1
  241 6 6
  242 7 7
  243 28 28
  244 12 12
  245 6 6
  246 2 2
  254 3 3
  255 4 4
  256 2 2
  257 2 2
  269 2 2
  270 16 16
  271 999 999
  272 272 272
  273 109 109
  274 22 22
  275 4 4
  285 2 2
  286 7 7
  287 1 1
  458 1 1
//