MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009351
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009351
RECORD_TITLE: 5-ACETOXY-3-(DIETHOXYPHOSPHORYL)METHYL-2-ISOXAZOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5-ACETOXY-3-(DIETHOXYPHOSPHORYL)METHYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18NO6P
CH$EXACT_MASS: 279.08717
CH$SMILES: CCOP(=O)(OCC)CC(=N1)CC(OC(C)=O)O1
CH$IUPAC: InChI=1S/C10H18NO6P/c1-4-14-18(13,15-5-2)7-9-6-10(17-11-9)16-8(3)12/h10H,4-7H2,1-3H3
CH$LINK: INCHIKEY
PUOIXLJREASCAX-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01vo-8950000000-5084de890a12826d32ec
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
40 6.47 65
42 10.26 103
43 5.78 58
44 75.49 755
46 5.59 56
47 6.55 66
53 4.28 43
54 23.63 236
55 9.47 95
57 3.97 40
64 20 200
78 6.24 62
81 28.47 285
82 13.78 138
83 20.9 209
91 5.87 59
95 5.27 53
96 8.06 81
97 6.66 67
104 3.6 36
109 14.58 146
110 3.55 36
111 4.58 46
121 4.19 42
122 6.79 68
125 4.3 43
129 3.47 35
135 5.86 59
136 16.86 169
137 2.35 24
138 1.96 20
146 24.31 243
148 4.99 50
149 5.13 51
150 3.5 35
153 12.3 123
163 5.63 56
164 77.93 779
165 4.08 41
174 3.98 40
176 2.79 28
181 9.28 93
192 39.86 399
193 3.04 30
194 1.83 18
204 1.88 19
209 38.92 389
210 3.77 38
219 3.25 33
220 99.99 999
221 8.82 88
222 3.03 30
237 4.8 48
//