MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009663
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009663
RECORD_TITLE: ETHYL 3-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$NAME: ETHYL 3-ACETYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O3
CH$EXACT_MASS: 192.07864
CH$SMILES: CCOC(=O)c(c1)cc(cc1)C(C)=O
CH$IUPAC: InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY
KHTGDCLCPJJWEY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80461579
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$SPLASH: splash10-004m-8900000000-bdb8a159708e3206216a
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
26 3.8 38
27 19.9 199
29 22.2 222
30 0.1 1
38 2 20
39 9 90
40 1.1 11
41 0.17 2
42 2.2 22
43 51.7 517
44 3 30
45 0.28 3
50 28.8 288
51 15.6 156
52 3 30
53 0.18 2
62 2.7 27
63 6.4 64
64 1.7 17
65 3.37 34
66 5 50
74 9.1 91
75 14.8 148
76 4.93 49
77 20.2 202
78 1.9 19
89 4.8 48
90 0.2 2
91 25.8 258
92 2.3 23
93 2.9 29
103 0.69 7
104 15.5 155
105 4.9 49
119 9.7 97
120 0.28 3
121 20 200
122 2.6 26
147 37.8 378
148 0.45 5
149 45.2 452
150 4 40
164 1.8 18
177 99.99 999
178 11.6 116
179 1 10
192 34.1 341
193 4.4 44
//