MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009810
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009810
RECORD_TITLE: METHYL 2,4-DICHLORO-3-METHYLENEBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 2,4-DICHLORO-3-METHYLENEBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8Cl2O2
CH$EXACT_MASS: 181.99013
CH$SMILES: COC(=O)C(Cl)C(=C)CCl
CH$IUPAC: InChI=1S/C6H8Cl2O2/c1-4(3-7)5(8)6(9)10-2/h5H,1,3H2,2H3
CH$LINK: INCHIKEY
YRNAQLFSLJHQFK-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0002-9800000000-63f3ce89d7ca81b018b9
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
27 9.5 95
29 3.6 36
36 8.7 87
38 1.07 11
39 14.9 149
41 3.4 34
42 6.5 65
43 0.74 7
44 1.6 16
45 5.2 52
49 6.5 65
50 0.87 9
51 24.8 248
52 7.2 72
53 31.6 316
54 0.72 7
55 6.8 68
58 1.2 12
59 60.4 604
61 0.74 7
67 9.4 94
73 8.8 88
75 4.5 45
81 0.79 8
82 6.9 69
83 5.1 51
87 36.2 362
88 1.98 20
89 18.2 182
90 7.9 79
91 9.7 97
108 0.74 7
111 5.6 56
112 7.8 78
113 10.1 101
115 0.58 6
116 10.4 104
117 18.2 182
118 5.2 52
119 0.74 7
123 29.1 291
125 20.8 208
131 3.9 39
146 0.7 7
147 99.99 999
148 15.5 155
149 36.4 364
150 0.75 8
151 5.5 55
153 4 40
182 4.3 43
//
system version 2.2.8-SNAPSHOT