MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009650
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009650
RECORD_TITLE: ETHYL 2-NAPHTHALENECARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 2-NAPHTHALENECARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12O2
CH$EXACT_MASS: 200.08373
CH$SMILES: CCOC(=O)c(c1)cc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C13H12O2/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
CH$LINK: INCHIKEY
HQKSINSCHCDMLS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10184143
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0zfr-0970000000-f65ef9433501fe78325f
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
29 1.6 16
77 1 10
126 1.7 17
127 4.51 45
128 10 100
129 1 10
155 92.9 929
156 1.6 16
157 1.4 14
172 25.8 258
173 3.5 35
185 0.55 6
200 99.99 999
201 14.7 147
202 1.4 14
//