ACCESSION: MSBNK-Osaka_Univ-OUF00380
RECORD_TITLE: Naringenin; GC-EI-TOF; MS; n TMS; RT:1058.070 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$CHROMATOGRAPHY: RETENTION_INDEX 2887.387
AC$CHROMATOGRAPHY: RETENTION_TIME 1058.070 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00fs-1951400000-0e93ea96a72cb2a5a868
PK$NUM_PEAK: 244
PK$PEAK: m/z int. rel.int.
  85 47 47
  86 7 7
  87 25 25
  88 19 19
  89 97 97
  90 14 14
  91 188 188
  92 31 31
  93 40 40
  95 24 24
  96 31 31
  97 26 26
  98 7 7
  99 134 134
  100 31 31
  101 33 33
  102 38 38
  103 89 89
  104 6 6
  105 97 97
  106 13 13
  107 44 44
  109 25 25
  110 5 5
  111 9 9
  113 6 6
  115 104 104
  116 6 6
  117 41 41
  118 3 3
  119 58 58
  120 6 6
  121 57 57
  122 14 14
  123 39 39
  124 4 4
  125 34 34
  126 14 14
  128 5 5
  129 31 31
  131 53 53
  133 308 308
  134 26 26
  135 153 153
  137 23 23
  138 16 16
  139 9 9
  140 3 3
  141 28 28
  142 7 7
  143 39 39
  145 36 36
  146 16 16
  147 315 315
  148 74 74
  149 131 131
  150 42 42
  151 154 154
  152 49 49
  153 22 22
  154 5 5
  155 27 27
  157 17 17
  159 6 6
  161 115 115
  162 21 21
  163 68 68
  164 14 14
  165 62 62
  166 53 53
  167 41 41
  168 7 7
  169 9 9
  170 15 15
  171 26 26
  172 1 1
  173 12 12
  175 56 56
  176 24 24
  177 407 407
  178 76 76
  179 697 697
  180 108 108
  181 72 72
  183 8 8
  185 37 37
  186 5 5
  187 3 3
  189 26 26
  190 4 4
  191 35 35
  192 210 210
  193 92 92
  194 51 51
  195 35 35
  197 23 23
  201 6 6
  203 18 18
  204 1 1
  205 7 7
  206 7 7
  207 41 41
  208 13 13
  209 41 41
  210 19 19
  211 14 14
  214 9 9
  215 11 11
  217 5 5
  219 22 22
  220 23 23
  221 19 19
  222 40 40
  223 31 31
  224 20 20
  225 33 33
  227 2 2
  229 156 156
  230 49 49
  235 64 64
  236 9 9
  237 23 23
  238 8 8
  239 141 141
  240 55 55
  241 1 1
  242 2 2
  243 4 4
  247 17 17
  249 21 21
  250 13 13
  251 4 4
  252 27 27
  253 60 60
  254 19 19
  255 2 2
  257 2 2
  259 10 10
  263 4 4
  264 7 7
  265 15 15
  266 25 25
  267 26 26
  268 76 76
  269 147 147
  270 21 21
  274 6 6
  276 5 5
  279 31 31
  280 2 2
  281 144 144
  282 53 53
  283 45 45
  284 15 15
  285 1 1
  288 4 4
  290 12 12
  291 12 12
  293 8 8
  294 7 7
  295 65 65
  296 696 696
  297 222 222
  298 101 101
  299 21 21
  305 5 5
  306 10 10
  307 101 101
  308 45 45
  309 9 9
  310 10 10
  311 26 26
  312 2 2
  313 5 5
  316 7 7
  317 7 7
  321 6 6
  322 10 10
  323 77 77
  324 27 27
  325 8 8
  327 2 2
  337 4 4
  339 5 5
  340 6 6
  341 13 13
  342 2 2
  343 18 18
  344 12 12
  349 1 1
  351 11 11
  354 3 3
  355 5 5
  362 3 3
  368 15 15
  369 17 17
  370 33 33
  371 11 11
  373 16 16
  374 3 3
  376 1 1
  382 20 20
  384 10 10
  385 88 88
  386 23 23
  387 19 19
  394 1 1
  398 2 2
  399 19 19
  400 34 34
  401 17 17
  415 23 23
  416 15 15
  434 4 4
  435 2 2
  443 17 17
  445 1 1
  447 1 1
  455 2 2
  456 19 19
  458 3 3
  459 9 9
  460 5 5
  461 12 12
  462 9 9
  468 4 4
  469 11 11
  470 21 21
  471 98 98
  472 240 240
  473 999 999
  474 478 478
  475 188 188
  476 72 72
  477 8 8
  478 9 9
  486 9 9
  487 117 117
  488 87 87
  489 21 21
  491 5 5
  492 1 1
  493 1 1
  495 1 1
//