MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009630
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009630
RECORD_TITLE: ETHYL 4-NITROBENZOATE; 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$NAME: ETHYL 4-NITROBENZOATE
CH$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$LINK: INCHIKEY
PHWSCBWNPZDYRI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1052666
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$SPLASH: splash10-0ufr-9800000000-3d91bb8dc564f24d5fd6
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
26 4.3 43
27 24.2 242
29 34.5 345
30 1.95 20
38 3 30
39 7.2 72
43 3.9 39
44 0.12 1
45 26 260
46 3.5 35
50 35.3 353
51 0.89 9
52 1 10
53 3.4 34
62 1.8 18
63 0.67 7
64 7.1 71
65 26.7 267
66 1.9 19
74 1.27 13
75 27 270
76 48.4 484
77 7.6 76
81 0.36 4
91 1 10
92 22.5 225
93 4 40
103 1.24 12
104 42 420
105 4.2 42
109 7 70
120 1.2 12
121 15.8 158
122 2.8 28
134 7.6 76
135 1.18 12
136 1 10
137 6 60
148 2.7 27
149 0.38 4
150 99.99 999
151 17.4 174
152 1.8 18
167 3.71 37
168 4.8 48
178 22.9 229
179 4.3 43
194 0.12 1
195 30.5 305
196 4.5 45
//