ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004566
RECORD_TITLE: 4-HYDROXYBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXYBENZOIC ACID METHYL ESTER
CH$NAME: METHYL PARA-HYDROXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: COC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
CH$LINK: CAS 99-76-3
CH$LINK: INCHIKEY LXCFILQKKLGQFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022529

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-00di-4900000000-c5ef5603a5b5d1102f5a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  37 0.9 9
  38 2.6 26
  39 11.9 119
  50 0.15 2
  51 1.1 11
  52 0.6 6
  53 2.8 28
  61 0.11 1
  62 2.8 28
  63 5.9 59
  64 3.5 35
  65 1.73 17
  66 1.9 19
  74 1 10
  75 0.8 8
  92 0.31 3
  93 28.4 284
  94 2.2 22
  95 0.7 7
  107 0.05 1
  108 0.5 5
  120 0.9 9
  121 99.99 999
  122 0.79 8
  123 1.3 13
  151 1.8 18
  152 34.3 343
  153 3.8 38
//