MassBank Record: JP005259

Home Search Record Index

1,1-DIMETHYLINDAN-4-CARBOXYLIC ACID ETHYLESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP005259
RECORD_TITLE: 1,1-DIMETHYLINDAN-4-CARBOXYLIC ACID ETHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-DIMETHYLINDAN-4-CARBOXYLIC ACID ETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O2
CH$EXACT_MASS: 218.13068
CH$SMILES: CCOC(=O)c(c2)c(C1)c(cc2)C(C)(C)C1
CH$IUPAC: InChI=1S/C14H18O2/c1-4-16-13(15)11-6-5-7-12-10(11)8-9-14(12,2)3/h5-7H,4,8-9H2,1-3H3
CH$LINK: INCHIKEY JAWKNTBIAIQVDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50204137

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0v00-5980000000-4f61bf79148bc32d239b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 8.9 89
  27 17.7 177
  29 28.6 286
  39 0.89 9
  41 5.8 58
  51 8.9 89
  53 4.8 48
  63 0.71 7
  64 7.1 71
  77 10.8 108
  79 7.9 79
  91 1.48 15
  103 5.3 53
  115 27.5 275
  116 8.4 84
  129 3 30
  131 33.3 333
  143 4.3 43
  145 12.3 123
  157 2.68 27
  158 4.4 44
  171 8.2 82
  173 19.7 197
  174 0.47 5
  175 22.9 229
  189 11.6 116
  190 2.9 29
  203 99.99 999
  204 19.1 191
  218 32.4 324
  219 5.1 51
//