ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002619
RECORD_TITLE: 1-METHOXY-2-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$NAME: 1-METHOXY-2-NAPHTHOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂O₃
CH$EXACT_MASS: 216.07864
CH$SMILES: COC(=O)c(c1)c(OC)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C13H12O3/c1-15-12-10-6-4-3-5-9(10)7-8-11(12)13(14)16-2/h3-8H,1-2H3
CH$LINK: INCHIKEY IKYRLYKWULPUNA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30405100

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$SPLASH: splash10-014r-0920000000-2088ad36378be7d246b1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  51 7.8 78
  57 11.7 117
  63 13.2 132
  113 1.64 16
  114 53.9 539
  115 26.5 265
  126 7 70
  127 4.29 43
  128 19.5 195
  129 21.8 218
  130 6.2 62
  142 1.48 15
  143 17.1 171
  145 21 210
  155 23.4 234
  156 1.25 13
  157 17.9 179
  170 34.3 343
  171 13.2 132
  183 2.89 29
  184 8.5 85
  185 99.99 999
  186 11.7 117
  187 2.03 20
  216 83.5 835
  217 9.3 93
//