ACCESSION: MSBNK-RIKEN-PR010092
RECORD_TITLE: 4-Hydroxybenzyl alcohol; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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: NIKKAJI J6.843H
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$CHROMATOGRAPHY: RETENTION_INDEX 1498.8
AC$CHROMATOGRAPHY: RETENTION_TIME 369.703 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H24O2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 268.13148
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9830000000-37513a80b983842a093d
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  60 9 9
  61 16 16
  62 5 5
  63 22 22
  64 6 6
  65 13 13
  66 7 7
  67 11 11
  68 2 2
  69 3 3
  70 4 4
  71 7 7
  72 12 12
  73 999 999
  74 88 88
  75 83 83
  76 11 11
  77 45 45
  78 29 29
  79 15 15
  80 1 1
  81 4 4
  82 26 26
  83 7 7
  84 1 1
  85 11 11
  86 1 1
  87 6 6
  88 1 1
  89 60 60
  90 25 25
  91 39 39
  92 4 4
  93 6 6
  94 1 1
  95 14 14
  96 3 3
  97 4 4
  98 1 1
  99 2 2
  101 2 2
  102 5 5
  103 29 29
  104 26 26
  105 37 37
  106 39 39
  107 13 13
  108 1 1
  109 4 4
  110 1 1
  111 5 5
  112 1 1
  113 1 1
  115 6 6
  116 1 1
  117 7 7
  118 2 2
  119 44 44
  120 5 5
  121 10 10
  122 1 1
  123 4 4
  127 1 1
  131 10 10
  132 2 2
  133 25 25
  134 5 5
  135 16 16
  136 2 2
  137 7 7
  138 1 1
  143 2 2
  145 6 6
  146 1 1
  147 256 256
  148 42 42
  149 55 55
  150 10 10
  151 30 30
  152 5 5
  153 2 2
  159 1 1
  161 10 10
  162 3 3
  163 45 45
  164 15 15
  165 41 41
  166 6 6
  167 3 3
  175 1 1
  177 14 14
  178 6 6
  179 474 474
  180 80 80
  181 23 23
  182 2 2
  190 2 2
  191 4 4
  192 1 1
  193 17 17
  194 4 4
  195 3 3
  196 1 1
  207 5 5
  208 1 1
  209 16 16
  210 5 5
  211 2 2
  221 1 1
  223 21 21
  224 7 7
  225 9 9
  226 3 3
  227 1 1
  235 4 4
  236 1 1
  237 17 17
  238 5 5
  239 2 2
  251 3 3
  252 1 1
  253 136 136
  254 34 34
  255 13 13
  256 2 2
  265 1 1
  266 1 1
  267 101 101
  268 138 138
  269 37 37
  270 12 12
  271 2 2
//