ACCESSION: MSBNK-Osaka_Univ-OUF00063
RECORD_TITLE: 4-Hydroxybenzyl alcohol; GC-EI-TOF; MS; n TMS; RT:553.420 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$NAME: 4-Hydroxybenzyl alcohol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₈O₂
CH$EXACT_MASS: 124.05243
CH$SMILES: OCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
CH$LINK: CAS 623-05-2
CH$LINK: CHEBI 437856
CH$LINK: CHEMSPIDER 122
CH$LINK: PUBCHEM CID:125
CH$LINK: INCHIKEY BVJSUAQZOZWCKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8073920

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$CHROMATOGRAPHY: RETENTION_INDEX 1501.287
AC$CHROMATOGRAPHY: RETENTION_TIME 553.420 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00os-0930000000-fb426d5a8be1daafc38c
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  85 22 22
  86 5 5
  87 14 14
  88 4 4
  89 113 113
  90 46 46
  91 75 75
  92 8 8
  93 13 13
  94 2 2
  95 28 28
  96 7 7
  97 9 9
  98 2 2
  99 5 5
  100 2 2
  101 4 4
  102 11 11
  103 55 55
  104 48 48
  105 71 71
  106 71 71
  107 26 26
  108 3 3
  109 8 8
  110 2 2
  111 11 11
  112 3 3
  113 2 2
  114 1 1
  115 13 13
  116 3 3
  117 15 15
  118 5 5
  119 97 97
  120 13 13
  121 23 23
  122 4 4
  123 10 10
  124 2 2
  125 1 1
  127 2 2
  128 1 1
  129 1 1
  130 2 2
  131 22 22
  132 5 5
  133 56 56
  134 11 11
  135 37 37
  136 6 6
  137 16 16
  138 3 3
  139 1 1
  143 4 4
  144 1 1
  145 14 14
  146 4 4
  147 521 521
  148 89 89
  149 123 123
  150 24 24
  151 69 69
  152 13 13
  153 4 4
  154 1 1
  157 1 1
  159 2 2
  160 1 1
  161 24 24
  162 8 8
  163 95 95
  164 31 31
  165 100 100
  166 15 15
  167 7 7
  168 1 1
  169 1 1
  175 3 3
  176 2 2
  177 27 27
  178 14 14
  179 999 999
  180 186 186
  181 54 54
  182 7 7
  183 1 1
  190 4 4
  191 9 9
  192 3 3
  193 38 38
  194 10 10
  195 7 7
  196 2 2
  207 10 10
  208 4 4
  209 33 33
  210 11 11
  211 5 5
  212 1 1
  219 1 1
  220 1 1
  221 2 2
  222 1 1
  223 42 42
  224 13 13
  225 18 18
  226 6 6
  227 2 2
  235 7 7
  236 4 4
  237 30 30
  238 15 15
  239 5 5
  240 1 1
  251 6 6
  252 3 3
  253 232 232
  254 73 73
  255 27 27
  256 5 5
  257 1 1
  260 1 1
  261 1 1
  263 1 1
  264 1 1
  265 2 2
  266 2 2
  267 207 207
  268 285 285
  269 80 80
  270 27 27
  271 4 4
//