ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011265
RECORD_TITLE: PARA-ANISIC 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$NAME: PARA-ANISIC ACID
CH$NAME: 4-METHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: COc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059205

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$SPLASH: splash10-0udr-9700000000-a7c8d60e07932915543c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 17.17 172
  27 7.12 71
  29 6.72 67
  30 1.13 11
  31 1.43 14
  37 4.17 42
  38 11.31 113
  39 13.01 130
  45 11.31 113
  49 1.25 13
  50 13.12 131
  51 9.64 96
  52 2.69 27
  53 11.62 116
  55 1.88 19
  61 3.12 31
  62 8.47 85
  63 24.12 241
  64 16.78 168
  65 11.02 110
  66 2.38 24
  73 1.26 13
  74 5.89 59
  75 5.02 50
  76 5.01 50
  77 27.43 274
  78 4.03 40
  79 3.25 33
  81 14.07 141
  92 21.78 218
  93 2.02 20
  104 1.01 10
  105 3.01 30
  106 1.19 12
  107 8.71 87
  108 1.17 12
  109 7.36 74
  119 1.07 11
  120 1.32 13
  121 1.64 16
  135 90.79 908
  136 8.21 82
  137 1.19 12
  152 99.99 999
  153 11.41 114
  154 1.21 12
//