MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004145
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004145
RECORD_TITLE: N-PARA-OCTYLPHENYL-2-PYRROLIDONE; 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$NAME: N-PARA-OCTYLPHENYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H27NO
CH$EXACT_MASS: 273.20926
CH$SMILES: CCCCCCCCc(c2)ccc(c2)N(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C18H27NO/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-15-8-10-18(19)20/h11-14H,2-10,15H2,1H3
CH$LINK: INCHIKEY
WMYDRTMKLYXZES-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-00di-2920000000-2c871321c19cb9666418
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
26 0.3 3
27 3.6 36
28 1.6 16
29 0.52 5
30 0.3 3
40 2.8 28
41 11.8 118
42 0.05 1
43 5.2 52
44 1.3 13
45 0.2 2
50 0.02 0
51 1 10
52 0.4 4
53 0.6 6
54 0.02 0
55 2.1 21
56 0.3 3
57 1.6 16
58 0.01 0
62 0.1 1
63 0.6 6
64 0.4 4
65 0.15 2
66 0.3 3
67 0.3 3
68 0.2 2
69 0.76 8
70 0.4 4
71 0.2 2
75 0.2 2
76 0.04 0
77 3.2 32
78 1.6 16
79 0.8 8
80 0.02 0
86 0.1 1
87 0.1 1
88 0.1 1
89 0.19 2
90 4.4 44
91 4.6 46
92 1 10
93 0.03 0
94 0.2 2
101 0.1 1
102 0.5 5
103 0.18 2
104 1.8 18
105 1.6 16
106 10.6 106
107 0.13 1
108 0.1 1
114 0.1 1
115 1.4 14
116 0.1 1
117 2.3 23
118 6.4 64
119 7.6 76
120 0.23 2
121 0.2 2
127 0.2 2
128 0.4 4
129 0.06 1
130 1.7 17
131 2.8 28
132 6.8 68
133 0.13 1
134 0.2 2
141 0.1 1
142 0.2 2
143 0.05 1
144 1.6 16
145 1.2 12
146 2.7 27
147 0.05 1
156 0.2 2
157 0.1 1
158 0.4 4
159 0.02 0
160 0.7 7
161 0.4 4
162 0.8 8
163 0.01 0
170 0.2 2
171 0.1 1
172 0.3 3
173 0.04 0
174 99.99 999
175 16 160
176 1.3 13
186 0.01 0
187 3 30
188 3.2 32
189 0.8 8
190 0.01 0
199 0.1 1
200 0.5 5
201 0.4 4
202 0.05 1
216 0.6 6
217 0.2 2
218 3.4 34
219 0.08 1
220 0.1 1
230 0.5 5
231 0.2 2
244 0.03 0
245 0.1 1
258 0.2 2
259 0.1 1
272 0.09 1
273 38.4 384
274 10.8 108
275 1.2 12
276 0.1 1
//