MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005259
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//