ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010810
RECORD_TITLE: 1-NAPHTHALENEACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 1-NAPHTHALENEACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀O₂
CH$EXACT_MASS: 186.06808
CH$SMILES: OC(=O)Cc(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
CH$LINK: INCHIKEY PRPINYUDVPFIRX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020915

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-1900000000-782f3a027c45e64394b3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  44 7.8 78
  45 1.06 11
  50 1.52 15
  51 2.07 21
  57 3.77 38
  62 1.33 13
  63 3.77 38
  64 1.12 11
  65 1.42 14
  70 1.88 19
  71 2.25 23
  74 1.38 14
  75 1.58 16
  77 1.41 14
  87 1.4 14
  89 2.22 22
  91 1.14 11
  113 1.35 14
  114 1.13 11
  115 17.29 173
  116 1.8 18
  127 1.66 17
  128 2.13 21
  129 1.02 10
  139 8.3 83
  140 3.29 33
  141 99.99 999
  142 14.56 146
  143 1.14 11
  156 1.13 11
  186 39.58 396
  187 5.43 54
//