ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002219
RECORD_TITLE: ALPHA-NAPHTHALENEACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-NAPHTHALENEACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12O2
CH$EXACT_MASS: 200.08373
CH$SMILES: COC(=O)Cc(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
CH$LINK: INCHIKEY YGGXZTQSGNFKPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2042143
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0006-1920000000-6bd8e01c4742ccf73f44
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  39 1 10
  50 2 20
  51 1 10
  58 0.26 3
  62 1.3 13
  63 2.3 23
  64 1 10
  65 0.06 1
  69 0.6 6
  70 3.3 33
  75 0.6 6
  76 0.1 1
  78 1 10
  86 0.6 6
  87 1 10
  88 0.06 1
  89 2.3 23
  113 1.6 16
  114 1 10
  115 1.77 18
  116 2 20
  139 7.7 77
  140 3.6 36
  141 99.99 999
  142 12 120
  143 1 10
  156 0.6 6
  158 0.06 1
  168 0.6 6
  169 1.3 13
  200 35.9 359
  201 0.5 5
  202 0.6 6
//
