ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002160
RECORD_TITLE: 1-NAPHTHOIC 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$NAME: 1-NAPHTHOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀O₂
CH$EXACT_MASS: 186.06808
CH$SMILES: COC(=O)c(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
CH$LINK: INCHIKEY HMRROBKAACRWBP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00182996

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$SPLASH: splash10-004r-2900000000-bb31de6b26f38e0185ef
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  44 2.8 28
  50 1.3 13
  51 7.5 75
  61 0.13 1
  62 1.6 16
  63 12.2 122
  64 11.9 119
  71 0.11 1
  74 4.3 43
  75 7.5 75
  76 3.5 35
  77 1.32 13
  78 1.3 13
  86 1.3 13
  87 2.3 23
  88 0.13 1
  100 1.3 13
  101 6.2 62
  114 1.3 13
  115 0.21 2
  125 1.3 13
  126 15.9 159
  127 99.99 999
  128 1.38 14
  129 1.5 15
  141 2.8 28
  154 1.8 18
  155 3.97 40
  156 16.6 166
  157 1.8 18
  168 1.8 18
  171 0.11 1
  185 1.1 11
  186 76.7 767
  187 9.9 99
  188 1.3 13
//