ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011442
RECORD_TITLE: 2-HYDROXY-3-METHOXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 2-HYDROXY-3-METHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₄
CH$EXACT_MASS: 168.04226
CH$SMILES: COc(c1)c(O)c(cc1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
CH$LINK: INCHIKEY AUZQQIPZESHNMG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20236566

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0g4i-0900000000-6c062178ed4c1c680d3e
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  51 2.18 22
  55 1.45 15
  64 1.01 10
  65 2.28 23
  66 2.45 25
  76 1.5 15
  79 4.6 46
  81 1 10
  92 14.77 148
  93 3.29 33
  94 3.96 40
  104 1.75 18
  105 1.45 15
  107 23.87 239
  108 3.17 32
  109 1.63 16
  119 1.36 14
  120 26.79 268
  121 34.68 347
  122 99.15 992
  123 7.44 74
  124 2.44 24
  149 9.9 99
  150 99.99 999
  151 11.94 119
  152 1.26 13
  168 84.2 842
  169 8.89 89
  170 1.28 13
//