MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011039
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011039
RECORD_TITLE: 6-CHLOROMETHYL-4-FORMYL-2,5-DIMETHOXYTROPONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6-CHLOROMETHYL-4-FORMYL-2,5-DIMETHOXYTROPONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11ClO4
CH$EXACT_MASS: 242.03459
CH$SMILES: COC(=C1)C(=O)C=C(CCl)C(OC)=C(C=O)1
CH$IUPAC: InChI=1S/C11H11ClO4/c1-15-10-4-8(6-13)11(16-2)7(5-12)3-9(10)14/h3-4,6H,5H2,1-2H3
CH$LINK: INCHIKEY
RHSKIWXYNHODDC-UHFFFAOYSA-N
AC$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: splash10-0ug0-9310000000-f657bd946114aa41d2e3
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
37 23.97 240
38 99.99 999
42 27.19 272
50 44.39 444
51 47.99 480
53 74.56 746
54 17.32 173
62 24.66 247
63 49.3 493
64 25.43 254
65 46.05 461
67 23.48 235
69 13.23 132
73 14.35 144
74 23.15 232
75 32.81 328
76 19.62 196
77 64.81 648
78 23.88 239
80 29.95 300
91 29.88 299
92 24.04 240
93 27.15 272
105 13.28 133
107 24.75 248
108 19.24 192
121 40.37 404
135 38.21 382
136 16.16 162
149 16.54 165
163 28.91 289
164 17.97 180
165 9.34 93
167 5.07 51
171 6.64 66
177 5.82 58
179 25.34 253
180 3.69 37
183 4.35 44
185 3.92 39
196 3.77 38
197 6.3 63
199 22.07 221
201 9.82 98
207 9.22 92
211 4.67 47
213 7.57 76
227 24.33 243
229 9.2 92
242 13.51 135
243 4.46 45
244 7.79 78
//