ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009710
RECORD_TITLE: 4-(4'-HYDROXYPHENYL)BENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 4-(4'-HYDROXYPHENYL)BENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O3
CH$EXACT_MASS: 214.06299
CH$SMILES: Oc(c2)ccc(c2)c(c1)ccc(C(O)=O)c1
CH$IUPAC: InChI=1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16)
CH$LINK: INCHIKEY JTGCXYYDAVPSFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60306717
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03di-0390000000-afd280d9c7c39aedf0b4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  115 3.03 30
  141 5.51 55
  168 2.94 29
  169 5.46 55
  170 1 10
  185 1.32 13
  186 1.45 15
  197 24.58 246
  198 3.99 40
  213 1.21 12
  214 99.99 999
  215 15.66 157
  216 1.8 18
//
