ACCESSION: MSBNK-Osaka_Univ-OUF00032
RECORD_TITLE: 2-Hydroxyphenylacetic acid; GC-EI-TOF; MS; n TMS; RT:584.967 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$NAME: 2-Hydroxyphenylacetic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)Cc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
CH$LINK: CAS 614-75-5
CH$LINK: CHEBI 507165
CH$LINK: CHEMSPIDER 11476
CH$LINK: KEGG C05852
CH$LINK: PUBCHEM CID:11970
CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060633

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$CHROMATOGRAPHY: RETENTION_INDEX 1566.066
AC$CHROMATOGRAPHY: RETENTION_TIME 584.967 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0002-0920000000-ca3851c9928227913a97
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  85 11 11
  86 3 3
  87 11 11
  88 5 5
  89 75 75
  90 36 36
  91 83 83
  92 9 9
  93 10 10
  94 1 1
  95 10 10
  96 3 3
  97 5 5
  98 1 1
  99 3 3
  101 7 7
  102 13 13
  103 64 64
  104 22 22
  105 114 114
  106 40 40
  107 11 11
  108 1 1
  109 6 6
  110 1 1
  111 8 8
  112 2 2
  113 2 2
  115 22 22
  116 7 7
  117 35 35
  118 12 12
  119 70 70
  120 11 11
  121 40 40
  122 6 6
  123 9 9
  124 1 1
  129 2 2
  130 1 1
  131 41 41
  132 11 11
  133 141 141
  134 75 75
  135 117 117
  136 17 17
  137 24 24
  138 3 3
  139 1 1
  143 2 2
  145 9 9
  146 4 4
  147 999 999
  148 184 184
  149 570 570
  150 92 92
  151 49 49
  152 7 7
  153 2 2
  157 1 1
  159 3 3
  160 1 1
  161 55 55
  162 12 12
  163 96 96
  164 364 364
  165 76 76
  166 19 19
  167 3 3
  175 3 3
  176 1 1
  177 47 47
  178 10 10
  179 58 58
  180 11 11
  181 11 11
  182 3 3
  183 1 1
  191 1 1
  193 5 5
  194 1 1
  195 13 13
  196 2 2
  197 1 1
  205 1 1
  206 13 13
  207 7 7
  208 10 10
  209 63 63
  210 19 19
  211 9 9
  212 2 2
  219 1 1
  220 1 1
  221 3 3
  222 1 1
  223 6 6
  224 3 3
  225 24 24
  226 9 9
  227 4 4
  233 1 1
  235 13 13
  236 8 8
  237 66 66
  238 32 32
  239 11 11
  240 3 3
  247 1 1
  249 1 1
  251 1 1
  252 6 6
  253 308 308
  254 101 101
  255 44 44
  256 9 9
  257 2 2
  267 1 1
  280 1 1
  281 108 108
  282 48 48
  283 17 17
  284 4 4
  295 1 1
  296 150 150
  297 49 49
  298 18 18
  299 3 3
//