MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009661
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009661
RECORD_TITLE: ETHYL 4-ACETYLBENZOATE; 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$NAME: ETHYL 4-ACETYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O3
CH$EXACT_MASS: 192.07864
CH$SMILES: CCOC(=O)c(c1)ccc(C(C)=O)c1
CH$IUPAC: InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY
GLOAPLPTWAXAIG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90344980
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$SPLASH: splash10-004l-5900000000-361dc600187923d66195
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 1.8 18
27 9.5 95
29 10.4 104
39 0.37 4
40 1.4 14
42 1 10
43 26.1 261
44 0.17 2
45 1.8 18
50 12.7 127
51 6 60
52 0.16 2
53 1 10
63 2.9 29
65 14.7 147
66 0.28 3
74 4.2 42
75 7.1 71
76 20.2 202
77 0.81 8
89 2.5 25
90 1.9 19
91 11.5 115
93 0.14 1
103 5.9 59
104 15.1 151
105 2.8 28
107 0.1 1
119 6 60
120 1.6 16
121 9.1 91
122 0.16 2
132 1.4 14
147 36 360
148 4 40
149 3.5 35
150 3.3 33
164 2.2 22
177 99.99 999
178 1.14 11
179 1.1 11
192 39.3 393
193 4.9 49
//