MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009643
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009643
RECORD_TITLE: ETHYL 4-CHLORO-3,5-DIMETHYLBENZOATE; 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$NAME: ETHYL 4-CHLORO-3,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13ClO2
CH$EXACT_MASS: 212.06041
CH$SMILES: CCOC(=O)c(c1)cc(C)c(Cl)c(C)1
CH$IUPAC: InChI=1S/C11H13ClO2/c1-4-14-11(13)9-5-7(2)10(12)8(3)6-9/h5-6H,4H2,1-3H3
CH$LINK: INCHIKEY
LNDNLCSHAZPLIV-UHFFFAOYSA-N
AC$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: splash10-014i-1910000000-dd3fe7da8707bc3600bc
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
27 4.5 45
29 4 40
39 3.1 31
45 0.1 1
50 1.5 15
51 6.4 64
52 1.2 12
53 0.17 2
62 1 10
63 3.7 37
65 1.6 16
75 0.2 2
76 1 10
77 18.8 188
78 3.9 39
91 0.15 2
101 1.5 15
102 3.4 34
103 18.7 187
104 0.6 6
105 2.3 23
138 1.2 12
139 15.4 154
140 0.2 2
141 5 50
149 4.4 44
153 1 10
167 99.99 999
168 14.1 141
169 33.3 333
170 4.5 45
177 0.34 3
184 32 320
185 3.5 35
186 10.6 106
197 0.57 6
199 1.7 17
211 1.2 12
212 38.2 382
213 0.5 5
214 12.9 129
215 1.5 15
//