ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002806
RECORD_TITLE: METHYL 4-HYDROXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 4-HYDROXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: COC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
CH$LINK: INCHIKEY LXCFILQKKLGQFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022529

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-5900000000-f3eccc0d6c2c948bd57b
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  14 0.1 1
  15 1.3 13
  17 0.1 1
  18 0.06 1
  26 0.2 2
  27 0.5 5
  28 1.7 17
  29 0.08 1
  30 0.1 1
  31 0.4 4
  32 0.4 4
  35 0.03 0
  36 2.3 23
  37 0.9 9
  38 2.9 29
  39 1.06 11
  40 0.4 4
  41 0.4 4
  42 0.2 2
  43 0.03 0
  44 0.1 1
  45 0.1 1
  46 0.4 4
  47 0.01 0
  49 0.2 2
  50 1.4 14
  51 1 10
  52 0.04 0
  53 2.5 25
  54 0.2 2
  55 0.3 3
  59 0.04 0
  60 0.2 2
  61 0.8 8
  62 2 20
  63 0.45 5
  64 2.7 27
  65 16.6 166
  66 1.7 17
  67 0.03 0
  69 0.1 1
  73 0.2 2
  74 0.8 8
  75 0.06 1
  76 0.2 2
  77 0.4 4
  78 0.1 1
  79 0.04 0
  80 0.3 3
  81 0.2 2
  82 0.1 1
  90 0.01 0
  91 0.3 3
  92 2.1 21
  93 21.5 215
  94 0.17 2
  95 0.6 6
  105 0.1 1
  107 0.5 5
  108 0.03 0
  109 0.3 3
  119 0.2 2
  120 0.9 9
  121 99.99 999
  122 8.2 82
  123 1.3 13
  124 0.1 1
  135 0.02 0
  136 0.2 2
  150 0.1 1
  151 1.9 19
  152 3.69 37
  153 3.4 34
  154 0.4 4
//