MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006274
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006274
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$SPLASH: splash10-004r-9400000000-a7bd7793194cf28d1efc
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
26 1.76 18
27 11.01 110
28 2.2 22
29 99.99 999
30 18.26 183
31 0.7 7
38 1.6 16
39 6.5 65
40 1.15 12
41 0.83 8
43 3.92 39
44 0.5 5
45 1.42 14
46 0.85 9
50 2.56 26
51 4.7 47
52 2.67 27
62 3.06 31
63 10.81 108
64 4.38 44
65 1.36 14
73 1.27 13
74 0.66 7
75 0.72 7
76 0.56 6
77 4.72 47
78 20.97 210
79 3.68 37
89 23.94 239
90 24.15 242
91 7.33 73
92 0.66 7
106 8.48 85
107 20.36 204
108 1.59 16
119 5.33 53
120 9.05 91
121 2.32 23
135 1.78 18
136 27.19 272
137 44.44 444
138 3.59 36
163 0.86 9
164 4.8 48
165 1.88 19
181 2.04 20
182 0.62 6
193 1.71 17
209 20.13 201
210 7.19 72
211 0.82 8
//