MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005500
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005500
RECORD_TITLE: 5-(3-(2'-TETRAHYDROPYRANYLOXY)PROPYL)-3,4-TRIMETHYLENE-2-OXAZOLIDONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: 5-(3-(2'-TETRAHYDROPYRANYLOXY)PROPYL)-3,4-TRIMETHYLENE-2-OXAZOLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H23NO4
CH$EXACT_MASS: 269.16271
CH$SMILES: C(C3)COC(C3)OCCCC(O1)C(C2)N(CC2)C(=O)1
CH$IUPAC: InChI=1S/C14H23NO4/c16-14-15-8-3-5-11(15)12(19-14)6-4-10-18-13-7-1-2-9-17-13/h11-13H,1-10H2
CH$LINK: INCHIKEY
IBEQIQSCQAXIDD-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01vx-3900000000-cdb85273393950efc8c1
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
55 2.71 27
56 8.96 90
57 2.71 27
58 1.41 14
68 2.71 27
69 6.57 66
70 87.55 876
71 8.14 81
82 4.89 49
83 16.56 166
84 22.97 230
85 25.52 255
86 4.02 40
87 2.99 30
96 37.74 377
97 12.38 124
98 6.73 67
99 5.43 54
101 6.79 68
102 3.26 33
108 3.26 33
111 7.87 79
112 6.24 62
113 10.59 106
114 99.99 999
115 12.92 129
116 5.43 54
117 2.71 27
121 1.62 16
122 4.62 46
123 6.24 62
124 12.21 122
125 6.78 68
126 3.8 38
127 16.72 167
128 9.24 92
129 4.07 41
130 1.79 18
136 2.45 25
138 2.45 25
139 5.05 51
140 82.99 830
141 24.34 243
142 60.58 606
143 9.13 91
150 1.9 19
151 1.9 19
152 1.9 19
153 18.75 188
154 45.44 454
155 9.24 92
167 13.31 133
168 20.43 204
169 39.42 394
170 27.17 272
171 5.16 52
185 9.4 94
186 53.11 531
187 45.64 456
188 4.35 44
196 2.45 25
214 2.99 30
240 1.9 19
270 4.78 48
//