ACCESSION: MSBNK-RIKEN-PR010226
RECORD_TITLE: 4-Hydroxybenzoic acid; 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$NAME: p-Hydroxybenzoic acid
CH$NAME: 4-Hydroxybenzoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₆O₃
CH$EXACT_MASS: 138.03169
CH$SMILES: Oc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: CAS 114-63-6
CH$LINK: NIKKAJI J61.563C
CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026647

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$CHROMATOGRAPHY: RETENTION_INDEX 1626.6
AC$CHROMATOGRAPHY: RETENTION_TIME 434.832 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H22O3Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 282.11075
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9540000000-11db590137f79b7a32bf
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  60 16 16
  61 29 29
  62 12 12
  63 45 45
  64 35 35
  65 32 32
  66 15 15
  67 15 15
  69 6 6
  70 8 8
  71 12 12
  72 19 19
  73 999 999
  74 108 108
  75 112 112
  76 54 54
  77 67 67
  78 16 16
  79 38 38
  80 3 3
  81 10 10
  82 6 6
  83 20 20
  84 6 6
  85 20 20
  86 2 2
  87 8 8
  88 3 3
  89 60 60
  90 27 27
  91 110 110
  92 53 53
  93 24 24
  94 3 3
  95 18 18
  96 8 8
  97 7 7
  98 2 2
  99 4 4
  101 2 2
  102 3 3
  103 32 32
  104 41 41
  105 45 45
  106 6 6
  107 18 18
  108 3 3
  109 9 9
  110 1 1
  111 10 10
  112 2 2
  113 1 1
  115 11 11
  116 2 2
  117 10 10
  118 12 12
  119 24 24
  120 15 15
  121 28 28
  122 20 20
  123 11 11
  124 2 2
  125 2 2
  126 91 91
  127 10 10
  129 1 1
  131 11 11
  132 2 2
  133 38 38
  134 9 9
  135 58 58
  136 9 9
  137 8 8
  138 1 1
  139 1 1
  143 1 1
  145 3 3
  146 1 1
  147 31 31
  148 9 9
  149 39 39
  150 13 13
  151 55 55
  152 7 7
  153 2 2
  157 1 1
  161 2 2
  162 1 1
  163 8 8
  164 2 2
  165 8 8
  166 7 7
  167 2 2
  177 6 6
  178 2 2
  179 44 44
  180 7 7
  181 6 6
  182 1 1
  191 8 8
  192 3 3
  193 254 254
  194 49 49
  195 20 20
  196 3 3
  207 25 25
  208 6 6
  209 5 5
  210 1 1
  221 4 4
  222 3 3
  223 362 362
  224 86 86
  225 35 35
  226 5 5
  227 1 1
  237 3 3
  238 1 1
  251 1 1
  252 1 1
  265 1 1
  266 3 3
  267 311 311
  268 78 78
  269 32 32
  270 5 5
  271 1 1
  281 8 8
  282 69 69
  283 18 18
  284 7 7
  285 1 1
//