ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010305
RECORD_TITLE: ISOPENTYL PARA-HYDROXYBENZOATE; 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$NAME: ISOPENTYL PARA-HYDROXYBENZOATE
CH$NAME: 3-METHYLBUTYL 4-HYDROXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CC(C)CCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
CH$LINK: INCHIKEY KSHVDKDQYBNSAN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4064397

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00dr-4900000000-647b913ce57c2da1529a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 3.55 36
  29 3.17 32
  39 6.95 70
  41 7.19 72
  42 1.88 19
  43 6.66 67
  53 1.19 12
  55 6.09 61
  63 2.55 26
  64 1.89 19
  65 12.59 126
  66 1.13 11
  69 1 10
  70 17.9 179
  71 1.53 15
  92 3.62 36
  93 15.67 157
  94 1.73 17
  95 3.09 31
  120 1.53 15
  121 99.99 999
  122 8.86 89
  123 1.07 11
  138 61.24 612
  139 37.18 372
  140 3.24 32
  151 1.49 15
  152 1.31 13
  208 1.66 17
//