MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005693
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005693
RECORD_TITLE: ETHYL 4-NITROBENZOATE; 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$NAME: ETHYL 4-NITROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9NO4
CH$EXACT_MASS: 195.05316
CH$SMILES: CCOC(=O)c(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
CH$LINK: CAS
99-77-4
CH$LINK: INCHIKEY
PHWSCBWNPZDYRI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1052666
AC$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: splash10-0udi-4900000000-81611d5a561c2c0926e0
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
15 0.86 9
18 0.54 5
26 1.12 11
27 6.9 69
28 2.02 20
29 12.02 120
30 6 60
37 0.45 5
38 1.3 13
39 2.93 29
43 1.31 13
44 0.24 2
45 12.04 120
46 0.99 10
49 0.32 3
50 16.38 164
51 4.02 40
52 0.42 4
53 1.42 14
61 0.41 4
62 1.03 10
63 3.42 34
64 3.77 38
65 14.38 144
66 1 10
73 0.79 8
74 7.65 77
75 15.52 155
76 27.44 274
77 4.2 42
78 0.56 6
79 0.33 3
81 2.36 24
82 0.17 2
91 0.6 6
92 14.86 149
93 2.77 28
94 0.33 3
103 9.7 97
104 34.01 340
105 3.33 33
106 0.44 4
107 0.25 3
108 0.15 2
109 5.28 53
110 0.38 4
119 0.36 4
120 8.35 84
121 12.88 129
122 2.2 22
123 0.43 4
134 6.73 67
135 10.38 104
136 0.98 10
137 4.52 45
138 0.4 4
148 2.56 26
149 3.11 31
150 99.99 999
151 17.39 174
152 1.87 19
153 0.24 2
167 45.8 458
168 5.55 56
169 0.68 7
177 0.71 7
178 27.01 270
179 4.8 48
180 1.81 18
194 1.49 15
195 16.58 166
196 3.6 36
197 0.41 4
//