MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011478
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011478
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-052r-9710000000-8eea6f911a6d3d813827
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
38 3.06 31
39 16.27 163
40 3.1 31
41 1.51 15
42 1.17 12
43 5.35 54
44 1.4 14
45 5.71 57
46 3.6 36
50 5.26 53
51 13.32 133
52 8.25 83
53 2.1 21
62 6.59 66
63 32.61 326
64 14.72 147
65 4.42 44
73 2.18 22
75 1.85 19
76 1.73 17
77 17.96 180
78 62.73 627
79 12.24 122
87 1.36 14
88 1.49 15
89 82.58 826
90 77.88 779
91 19.16 192
92 1.76 18
105 1.85 19
106 28.35 284
107 53.91 539
108 3.66 37
117 2.44 24
118 1.23 12
119 12.72 127
120 22.99 230
121 5.61 56
133 2.11 21
135 5.94 59
136 71.38 714
137 99.99 999
138 8.37 84
148 1.85 19
150 1.5 15
163 3.34 33
164 15.47 155
165 5.09 51
179 1.86 19
181 5.94 59
193 2.16 22
209 63.79 638
210 8.93 89
211 1.07 11
//