MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005695
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005695
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-NITROPHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11NO4
CH$EXACT_MASS: 209.06881
CH$SMILES: CCOC(=O)Cc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
CH$LINK: INCHIKEY
DWDRNKYLWMKWTH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7063891
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-002r-9610000000-8ecfecd22bfb50907340
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
15 1.3 13
18 1.5 15
26 1.83 18
27 15.05 151
28 3.19 32
29 99.99 999
30 25.56 256
31 1 10
38 2.26 23
39 10.44 104
40 2.07 21
41 4.45 45
42 0.99 10
43 33.63 336
44 1.38 14
45 2.64 26
46 1.14 11
50 4.07 41
51 7.65 77
52 4.43 44
53 1.25 13
55 0.55 6
61 1.04 10
62 6.06 61
63 22.96 230
64 9.45 95
65 2.58 26
66 0.45 5
73 1.94 19
74 1.22 12
75 1.48 15
76 1.24 12
77 10.09 101
78 40.94 409
79 7.37 74
80 0.67 7
85 0.39 4
86 1.22 12
87 1.78 18
88 1.34 13
89 55.14 551
90 54.14 541
91 13.54 135
92 1.2 12
93 0.53 5
103 0.57 6
104 0.79 8
105 1.48 15
106 20.17 202
107 38.46 385
108 2.97 30
109 0.44 4
117 1.98 20
118 0.89 9
119 9.04 90
120 19.42 194
121 4.87 49
122 0.57 6
133 1.53 15
134 0.58 6
135 4.19 42
136 67.65 677
137 98.77 988
138 8.28 83
139 0.74 7
147 0.31 3
148 1.66 17
149 0.38 4
150 1.15 12
151 0.22 2
163 2.56 26
164 13.83 138
165 4.17 42
166 0.55 6
181 5.02 50
182 1.43 14
183 0.2 2
193 3.18 32
194 0.74 7
207 0.29 3
208 0.49 5
209 40.72 407
210 11 110
211 1.34 13
//