ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002221
RECORD_TITLE: PARA-ANISIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PARA-ANISIC ACID METHYL ESTER
CH$NAME: METHYL 4-METHOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
CH$LINK: INCHIKEY DDIZAANNODHTRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047645

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-014r-6900000000-ea0c740f9da9c4c70539
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  37 1.9 19
  38 7.3 73
  39 4.1 41
  50 1.05 11
  51 4.7 47
  52 2.2 22
  53 3.1 31
  62 0.41 4
  63 17.8 178
  64 23.3 233
  65 2.8 28
  66 0.19 2
  75 4.7 47
  76 6.3 63
  77 54.3 543
  78 0.44 4
  79 4.1 41
  92 30.9 309
  93 1.9 19
  103 0.15 2
  104 2.2 22
  105 1.5 15
  107 46.9 469
  108 0.44 4
  119 2.5 25
  120 2.2 22
  121 2.2 22
  123 0.28 3
  135 53.3 533
  136 26.5 265
  137 2.5 25
  165 0.51 5
  166 99.99 999
  167 11.1 111
//