MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009595
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009595
RECORD_TITLE: ETHYL 3-BROMOBENZOATE; 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$NAME: ETHYL 3-BROMOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9BrO2
CH$EXACT_MASS: 227.97859
CH$SMILES: CCOC(=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY
QAUASTLEZAPQTB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40179143
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$SPLASH: splash10-0uei-1950000000-1365544da0e8a94b5a36
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 1.7 17
28 4.3 43
29 8.5 85
45 0.8 8
51 1 10
65 6.1 61
75 7.7 77
76 1.39 14
77 5.7 57
103 2.7 27
104 7.3 73
105 0.41 4
121 2.1 21
131 2.1 21
149 21.4 214
150 0.23 2
155 27.7 277
156 2.8 28
157 28.3 283
158 0.26 3
183 99.99 999
184 12.8 128
185 97 970
186 1.19 12
200 60.6 606
201 4.9 49
202 57.5 575
203 0.45 5
210 2.8 28
212 2.6 26
213 2.3 23
215 0.17 2
227 1 10
228 43.9 439
229 5.5 55
230 4.25 43
231 4.2 42
//