MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009633
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009633
RECORD_TITLE: ETHYL 3-CHLOROBENZOATE; 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$NAME: ETHYL 3-CHLOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9ClO2
CH$EXACT_MASS: 184.02911
CH$SMILES: CCOC(=O)c(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY
LVFRSNCBCHABAM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10150181
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$SPLASH: splash10-052r-3900000000-de5d368c602964d1c6d4
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 1.9 19
27 9.8 98
29 12.3 123
38 0.18 2
39 1.5 15
43 1.8 18
45 8 80
50 1.5 15
51 6.9 69
61 1.3 13
63 1 10
65 0.2 2
73 1.8 18
74 8.3 83
75 34 340
76 1.03 10
77 3.8 38
84 1.1 11
85 3.7 37
87 0.12 1
104 1.7 17
105 1.2 12
110 1.4 14
111 4.27 43
112 4.7 47
113 14 140
114 1.2 12
139 99.99 999
140 12.7 127
141 33.8 338
142 4 40
149 0.32 3
156 45 450
157 3.8 38
158 15 150
159 0.12 1
166 3.3 33
169 3 30
183 1.2 12
184 3 30
185 3.4 34
186 10 100
//