MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009596
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009596
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$SPLASH: splash10-052r-1900000000-a97c89ba6953c002dca1
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 1.5 15
27 8.9 89
29 11.1 111
30 0.1 1
39 1 10
43 1.3 13
45 6.3 63
50 1.01 10
51 7.7 77
65 2.1 21
74 5.3 53
75 2.67 27
76 9.5 95
77 10.5 105
78 1 10
85 0.29 3
87 1 10
104 2 20
105 16.5 165
106 0.17 2
110 1.1 11
111 39.7 397
112 4.3 43
113 1.28 13
114 1.2 12
122 5 50
139 99.99 999
140 1.25 13
141 33 330
142 3.8 38
149 3.7 37
150 0.52 5
156 48.2 482
157 4 40
158 15.7 157
159 0.12 1
166 3.4 34
168 1 10
169 3.2 32
183 0.16 2
184 36.3 363
185 4.1 41
186 12.1 121
//