ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004260
RECORD_TITLE: 2-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$NAME: 2-NAPHTHALENEACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12O2
CH$EXACT_MASS: 200.08373
CH$SMILES: COC(=O)Cc(c1)cc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C13H12O2/c1-15-13(14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
CH$LINK: INCHIKEY BGYOCQOJCMPTCY-UHFFFAOYSA-N
AC$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: splash10-0fr6-2940000000-6d2837ce6897f37f8bff
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  39 9.8 98
  50 4.6 46
  51 8.9 89
  57 1.59 16
  58 2.8 28
  62 4.6 46
  63 14 140
  64 0.14 1
  65 6.5 65
  69 5.1 51
  70 8.9 89
  71 3.05 31
  75 7 70
  76 2.3 23
  77 1.4 14
  78 0.14 1
  86 2.3 23
  87 5.1 51
  88 3.7 37
  89 1.07 11
  91 6.1 61
  102 2.3 23
  113 7 70
  114 0.51 5
  115 96.2 962
  116 9.8 98
  126 2.3 23
  127 0.32 3
  128 7 70
  129 3.2 32
  138 1.4 14
  139 5.21 52
  140 23 230
  141 71.8 718
  142 82.1 821
  143 0.46 5
  155 3.7 37
  156 1.8 18
  157 1.8 18
  168 0.7 7
  169 2.8 28
  200 99.99 999
  201 45 450
  202 3.7 37
//
