MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005115
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005115
RECORD_TITLE: 4-METHYLPHENYLAMINO-2(5H)-FURANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLPHENYLAMINO-2(5H)-FURANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11NO2
CH$EXACT_MASS: 189.07898
CH$SMILES: O=C(O2)C=C(C2)N(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H11NO2/c1-12(9-5-3-2-4-6-9)10-7-11(13)14-8-10/h2-7H,8H2,1H3
CH$LINK: INCHIKEY
QVVNFPQGPLIMFM-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 23 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-1900000000-ed141c3eca8f204b0d50
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
43 0.37 4
44 0.34 3
55 0.74 7
56 0.33 3
57 0.88 9
60 0.46 5
61 0.43 4
69 0.75 8
70 0.46 5
71 0.76 8
73 0.5 5
77 0.36 4
81 0.55 6
82 18.44 184
83 1.38 14
84 0.72 7
85 0.64 6
90 0.38 4
91 3.01 30
92 0.43 4
94 0.38 4
95 0.59 6
96 0.81 8
97 0.91 9
98 0.59 6
99 0.48 5
104 0.66 7
105 1.62 16
106 0.87 9
107 0.93 9
108 0.37 4
109 0.44 4
110 0.56 6
111 0.7 7
112 0.5 5
113 0.51 5
116 2.35 24
117 1.45 15
118 2.03 20
119 0.39 4
121 0.34 3
123 0.5 5
124 0.37 4
125 0.43 4
127 0.92 9
129 0.79 8
130 2.78 28
131 5.66 57
132 16.51 165
133 1.95 20
136 0.41 4
137 0.53 5
138 0.43 4
139 0.35 4
142 0.36 4
143 0.79 8
144 15.53 155
145 3.27 33
146 0.94 9
149 0.79 8
151 0.37 4
158 0.76 8
159 0.68 7
160 3.13 31
161 1.37 14
165 0.37 4
167 0.42 4
174 0.63 6
175 0.86 9
185 0.41 4
188 2.77 28
189 99.99 999
190 13.66 137
191 1.48 15
192 0.37 4
//