ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010384
RECORD_TITLE: (4-METHOXYPHENYL)PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: (4-METHOXYPHENYL)PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: COc(c1)ccc(CCC(O)=O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
CH$LINK: INCHIKEY FIUFLISGGHNPSM-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-2900000000-ca41a328e39e01aef8e0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 2.1 21
  42 1.3 13
  43 7.5 75
  44 0.15 2
  45 1.5 15
  55 2.8 28
  56 2.8 28
  57 0.36 4
  58 3.2 32
  60 3.4 34
  69 2.3 23
  70 0.24 2
  71 2.8 28
  73 1.5 15
  77 2.3 23
  78 0.1 1
  81 1.2 12
  83 1.3 13
  84 1.2 12
  85 0.15 2
  91 2.6 26
  105 1.1 11
  119 1.1 11
  121 99.99 999
  122 10.1 101
  123 1 10
  134 2.4 24
  135 0.11 1
  180 32.3 323
  181 4.1 41
//