ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002153
RECORD_TITLE: NAPHTHALENE-1,2-DICARBOXYLIC ACID DIMETHYLESTER; 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$NAME: NAPHTHALENE-1,2-DICARBOXYLIC ACID DIMETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₄
CH$EXACT_MASS: 244.07356
CH$SMILES: COC(=O)c(c1)c(C(=O)OC)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C14H12O4/c1-17-13(15)11-8-7-9-5-3-4-6-10(9)12(11)14(16)18-2/h3-8H,1-2H3
CH$LINK: INCHIKEY JGJWEXOAAXEJMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40574053

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$SPLASH: splash10-03di-0390000000-ab37ea50370469d51905
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  114 10.8 108
  126 12.5 125
  127 13.6 136
  154 0.79 8
  170 11.9 119
  171 6.7 67
  185 6.6 66
  213 99.99 999
  214 13.1 131
  244 43.9 439
  245 8.5 85
//