ACCESSION: MSBNK-Osaka_Univ-OUF00381
RECORD_TITLE: Naringenin; GC-EI-TOF; MS; n TMS; RT:1079.450 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$NAME: (+-)-Naringenin
CH$NAME: Naringenin
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₅H₁₂O₅
CH$EXACT_MASS: 272.06847
CH$SMILES: Oc(c3)ccc(c3)[C@H](C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
CH$IUPAC: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
CH$LINK: CAS 480-41-1
CH$LINK: CHEBI 17846
CH$LINK: CHEMSPIDER 388383
CH$LINK: KEGG C00509
CH$LINK: PUBCHEM CID:439246
CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N
CH$LINK: COMPTOX DTXSID1022392

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$CHROMATOGRAPHY: RETENTION_INDEX 2967.060
AC$CHROMATOGRAPHY: RETENTION_TIME 1079.450 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0a4r-2961300000-725a9d843a4286e86b06
PK$NUM_PEAK: 289
PK$PEAK: m/z int. rel.int.
  85 17 17
  86 7 7
  87 13 13
  88 16 16
  89 234 234
  90 45 45
  91 97 97
  92 13 13
  93 9 9
  94 6 6
  95 35 35
  96 14 14
  97 36 36
  98 13 13
  99 73 73
  100 9 9
  101 9 9
  102 25 25
  103 50 50
  104 18 18
  105 31 31
  106 8 8
  107 10 10
  108 5 5
  109 18 18
  110 9 9
  111 6 6
  112 12 12
  113 7 7
  115 71 71
  116 15 15
  117 36 36
  118 12 12
  119 44 44
  120 17 17
  121 31 31
  122 3 3
  123 22 22
  124 14 14
  125 13 13
  126 10 10
  127 2 2
  128 14 14
  129 18 18
  130 13 13
  131 36 36
  132 16 16
  133 135 135
  134 28 28
  135 86 86
  136 22 22
  137 31 31
  138 4 4
  140 9 9
  141 8 8
  142 13 13
  143 15 15
  144 3 3
  145 19 19
  146 8 8
  147 100 100
  148 19 19
  149 86 86
  150 22 22
  151 115 115
  152 35 35
  153 13 13
  154 15 15
  155 8 8
  156 4 4
  157 11 11
  158 4 4
  159 7 7
  160 4 4
  161 81 81
  162 24 24
  163 29 29
  164 12 12
  165 17 17
  167 21 21
  168 5 5
  169 14 14
  171 7 7
  172 9 9
  173 4 4
  174 4 4
  175 50 50
  176 24 24
  177 207 207
  178 58 58
  179 216 216
  180 43 43
  181 19 19
  182 6 6
  185 8 8
  186 7 7
  187 2 2
  188 1 1
  189 5 5
  190 43 43
  191 104 104
  192 110 110
  193 53 53
  194 29 29
  195 14 14
  197 4 4
  198 2 2
  199 5 5
  201 4 4
  202 21 21
  203 29 29
  204 15 15
  205 30 30
  206 13 13
  207 27 27
  208 22 22
  209 999 999
  210 187 187
  211 56 56
  212 9 9
  213 2 2
  215 8 8
  217 6 6
  218 14 14
  219 7 7
  220 14 14
  221 23 23
  222 22 22
  223 11 11
  224 8 8
  227 2 2
  228 12 12
  230 1 1
  231 1 1
  232 7 7
  234 20 20
  235 13 13
  236 23 23
  237 17 17
  238 5 5
  239 10 10
  240 5 5
  241 3 3
  242 7 7
  243 12 12
  244 12 12
  245 1 1
  247 3 3
  248 1 1
  249 3 3
  250 8 8
  251 12 12
  252 15 15
  253 11 11
  254 7 7
  255 4 4
  256 4 4
  259 1 1
  263 2 2
  264 16 16
  265 7 7
  266 5 5
  267 12 12
  268 5 5
  269 9 9
  270 2 2
  271 4 4
  273 3 3
  277 4 4
  278 17 17
  279 7 7
  280 27 27
  281 24 24
  282 13 13
  283 3 3
  284 1 1
  285 1 1
  290 12 12
  291 7 7
  292 5 5
  293 8 8
  294 8 8
  295 8 8
  296 15 15
  304 3 3
  305 2 2
  306 24 24
  307 7 7
  308 8 8
  309 1 1
  311 6 6
  312 4 4
  319 1 1
  320 30 30
  321 11 11
  322 10 10
  323 10 10
  324 1 1
  325 4 4
  326 3 3
  327 8 8
  330 1 1
  332 5 5
  337 8 8
  338 4 4
  340 8 8
  341 7 7
  342 1 1
  346 1 1
  349 3 3
  351 2 2
  352 40 40
  353 12 12
  354 6 6
  355 4 4
  357 6 6
  358 4 4
  362 1 1
  363 1 1
  366 3 3
  368 12 12
  369 9 9
  370 11 11
  373 6 6
  374 6 6
  379 5 5
  380 6 6
  381 4 4
  382 35 35
  383 19 19
  384 14 14
  385 12 12
  386 1 1
  389 2 2
  390 1 1
  396 12 12
  397 12 12
  398 19 19
  399 13 13
  401 2 2
  403 1 1
  408 3 3
  410 2 2
  412 9 9
  413 10 10
  414 16 16
  415 11 11
  416 1 1
  418 4 4
  420 7 7
  426 3 3
  427 4 4
  429 2 2
  431 7 7
  432 1 1
  435 1 1
  439 1 1
  442 2 2
  444 11 11
  445 6 6
  446 1 1
  447 2 2
  450 4 4
  454 4 4
  455 5 5
  457 2 2
  460 1 1
  461 1 1
  465 3 3
  467 2 2
  468 16 16
  469 25 25
  470 74 74
  471 63 63
  472 42 42
  473 16 16
  474 3 3
  479 1 1
  483 15 15
  484 69 69
  485 111 111
  486 227 227
  487 166 166
  488 84 84
  489 28 28
  490 3 3
  491 1 1
  492 2 2
  500 7 7
//