MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009597
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009597
RECORD_TITLE: ETHYL 4-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$NAME: ETHYL 4-CHLOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9ClO2
CH$EXACT_MASS: 184.02911
CH$SMILES: CCOC(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
CH$LINK: COMPTOX
DTXSID9064631
CH$LINK: INCHIKEY
RWBYCMPOFNRISR-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:81785
AC$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: splash10-000i-3900000000-86b6e5da9317d475b405
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
26 1.2 12
27 8 80
29 10 100
43 0.15 2
45 4.2 42
50 10.1 101
51 4.9 49
65 0.19 2
73 1 10
74 5.7 57
75 29 290
76 0.88 9
77 3 30
85 3.1 31
87 1 10
103 0.1 1
104 3.6 36
105 1.5 15
110 1.2 12
111 3.77 38
112 3.8 38
113 12.7 127
139 99.99 999
140 1.15 12
141 34.8 348
142 3.6 36
149 3.6 36
156 3.98 40
157 3.2 32
158 13.4 134
169 1.7 17
183 0.1 1
184 26.5 265
185 3 30
186 9 90
//