ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000073
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CC(C)OC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3
CH$LINK: INCHIKEY CMHMMKSPYOOVGI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3052858

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$SPLASH: splash10-00di-2900000000-2be2a5dce82fa940202d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39 2.11 21
  41 5.09 51
  42 2.4 24
  43 9.38 94
  59 18.55 186
  65 5.82 58
  66 1.31 13
  70 1.16 12
  71 1.24 12
  93 9.38 94
  94 3.05 31
  95 1.38 14
  121 99.99 999
  122 16.15 162
  123 1.45 15
  138 53.24 532
  139 5.16 52
  165 5.67 57
  180 8.8 88
  181 1.67 17
//