ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000071
RECORD_TITLE: PROPYL PARA HYDROXY BENZOATE; 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$NAME: PROPYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CCCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
CH$LINK: INCHIKEY QELSKZZBTMNZEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022527

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00dr-2900000000-5ad831b2650fc930116c
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 1.74 17
  29 1.09 11
  39 7.11 71
  41 1.74 17
  43 1.09 11
  53 1.09 11
  63 1.81 18
  64 1.45 15
  65 12.55 126
  67 1.09 11
  92 1.02 10
  93 13.57 136
  94 1.45 15
  120 2.83 28
  121 99.99 999
  122 8.42 84
  138 53.27 533
  139 5.08 51
  180 3.41 34
  181 0.65 7
//