ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009586
RECORD_TITLE: PARA-ANISIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: PARA-ANISIC ACID
CH$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$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0udr-3900000000-37a76df2abc65593a12f
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 1.7 17
  37 1.03 10
  38 3.11 31
  39 4.07 41
  45 1.51 15
  50 4.88 49
  51 3.46 35
  53 2.87 29
  61 1.01 10
  62 2.91 29
  63 8.76 88
  64 8.01 80
  65 5.2 52
  74 3.07 31
  75 2.4 24
  76 2.69 27
  77 16.71 167
  78 2.59 26
  79 1.88 19
  81 6.69 67
  92 11.96 120
  93 1.32 13
  105 2.48 25
  107 11.36 114
  108 1.08 11
  109 4.5 45
  121 1.41 14
  135 91.98 920
  136 9.07 91
  137 1.01 10
  152 99.99 999
  153 9.92 99
  154 1.04 10
//