ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010340
RECORD_TITLE: META-METHOXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-METHOXYBENZOIC ACID
CH$NAME: META-ANISIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: COc(c1)cc(cc1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
CH$LINK: INCHIKEY XHQZJYCNDZAGLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060410

AC$INSTRUMENT: HITACHI M-80A
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-3900000000-7661c4fb763d3d32a93a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 5.23 52
  27 1.78 18
  29 2.06 21
  38 2.53 25
  39 6.43 64
  45 3.95 40
  50 2.56 26
  51 2.25 23
  53 4.84 48
  62 1.89 19
  63 14.13 141
  64 4.88 49
  65 6.53 65
  76 1 10
  77 3.72 37
  79 1.24 12
  81 3.38 34
  92 9.46 95
  93 1.22 12
  105 4.99 50
  107 3.97 40
  108 1.23 12
  109 3.57 36
  121 1.14 11
  135 51.59 516
  136 4.61 46
  137 1.1 11
  151 1.13 11
  152 99.99 999
  153 17.3 173
  154 1.75 18
//