ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000075
RECORD_TITLE: BUTYL 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$NAME: BUTYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.09429
CH$SMILES: CCCCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
CH$LINK: INCHIKEY QFOHBWFCKVYLES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020209

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$SPLASH: splash10-00dr-2900000000-bb56a149a6da74d93ee8
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 2.39 24
  29 1.03 10
  39 8.68 87
  41 3.69 37
  56 1.37 14
  63 2.05 21
  64 1.71 17
  65 13.88 139
  66 1.37 14
  92 1.44 14
  93 19.07 191
  94 2.05 21
  95 1.37 14
  120 1.3 13
  121 99.99 999
  122 8.89 89
  138 65.28 653
  139 8.89 89
//