ACCESSION: MSBNK-Osaka_Univ-OUF00115
RECORD_TITLE: Anthranilic acid; GC-EI-TOF; MS; n TMS; RT:607.543 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$NAME: Anthranilic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: OC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: CAS 118-92-3
CH$LINK: CHEBI 16567 30754
CH$LINK: CHEMSPIDER 222
CH$LINK: KEGG C00108
CH$LINK: PUBCHEM CID:227
CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020094

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$CHROMATOGRAPHY: RETENTION_INDEX 1613.166
AC$CHROMATOGRAPHY: RETENTION_TIME 607.543 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014i-1960000000-889ed538406d5aa57a5d
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  85 9 9
  86 9 9
  87 12 12
  88 5 5
  89 29 29
  90 27 27
  91 156 156
  92 166 166
  93 30 30
  94 11 11
  95 15 15
  96 9 9
  97 11 11
  98 3 3
  99 2 2
  100 5 5
  101 6 6
  102 14 14
  103 26 26
  104 21 21
  105 46 46
  106 28 28
  107 13 13
  108 7 7
  109 5 5
  110 3 3
  111 3 3
  113 2 2
  114 1 1
  115 27 27
  116 18 18
  117 45 45
  118 245 245
  119 143 143
  120 105 105
  121 33 33
  122 12 12
  123 9 9
  124 2 2
  125 1 1
  126 12 12
  127 1 1
  128 2 2
  129 3 3
  130 20 20
  131 43 43
  132 91 91
  133 214 214
  134 332 332
  135 73 73
  136 23 23
  137 7 7
  138 1 1
  142 1 1
  143 2 2
  144 4 4
  145 10 10
  146 29 29
  147 144 144
  148 95 95
  149 210 210
  150 96 96
  151 27 27
  152 10 10
  153 2 2
  154 1 1
  156 2 2
  158 8 8
  159 3 3
  160 13 13
  161 4 4
  162 18 18
  163 8 8
  164 15 15
  165 5 5
  166 1 1
  172 3 3
  174 56 56
  175 12 12
  176 64 64
  177 12 12
  178 75 75
  179 19 19
  180 11 11
  181 4 4
  182 1 1
  188 2 2
  189 1 1
  190 8 8
  191 6 6
  192 107 107
  193 44 44
  194 57 57
  195 12 12
  196 3 3
  197 1 1
  202 2 2
  203 1 1
  204 6 6
  205 3 3
  206 5 5
  207 5 5
  208 75 75
  209 39 39
  210 34 34
  211 8 8
  212 3 3
  214 1 1
  216 1 1
  217 1 1
  218 1 1
  219 1 1
  220 7 7
  221 2 2
  222 7 7
  223 2 2
  224 8 8
  225 3 3
  227 1 1
  231 1 1
  232 94 94
  233 34 34
  234 17 17
  235 5 5
  236 2 2
  237 1 1
  238 1 1
  241 1 1
  246 1 1
  247 1 1
  248 12 12
  249 7 7
  250 17 17
  251 5 5
  252 2 2
  262 1 1
  263 1 1
  264 17 17
  265 16 16
  266 999 999
  267 252 252
  268 100 100
  269 17 17
  270 4 4
  280 2 2
  281 62 62
  282 17 17
  283 7 7
  284 1 1
//