MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009875
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009875
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000i-7910000000-47f399a84d6a576d5ab7
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 6 60
28 1.5 15
29 67.8 678
30 16 160
38 1.2 12
39 6 60
45 1.2 12
51 5.8 58
52 2.2 22
62 2.8 28
63 12.5 125
64 5 50
65 1 10
73 1.2 12
77 6.8 68
78 23 230
79 4.8 48
89 38.5 385
90 45.3 453
91 10.2 102
106 25 250
107 19 190
108 1.5 15
119 6.2 62
120 22.2 222
121 3.8 38
135 2.7 27
136 80 800
137 99.99 999
138 7.8 78
163 1.2 12
164 12.5 125
165 4.2 42
181 6.8 68
193 2.6 26
209 43.5 435
210 7.8 78
//