MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011311
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011311
RECORD_TITLE: ETHYL 2-BROMOPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 2-BROMOPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9BrO2
CH$EXACT_MASS: 179.97859
CH$SMILES: CCOC(=O)C(C)Br
CH$IUPAC: InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
CH$LINK: CAS
535-11-5
CH$LINK: INCHIKEY
ARFLASKVLJTEJD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90871746
AC$INSTRUMENT: HITACHI M-2500
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: splash10-056r-9500000000-843d57926d0c18b539cc
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
14 1.28 13
15 5.13 51
25 1.26 13
26 18.37 184
27 73.38 734
28 34.25 343
29 99.99 999
30 2.68 27
31 4.16 42
41 11.46 115
42 2.4 24
43 14.44 144
44 1.12 11
45 16.52 165
53 1.45 15
55 13.61 136
56 15.04 150
57 41.33 413
58 2.36 24
73 5.43 54
74 2.22 22
79 2.13 21
80 1.04 10
81 2.18 22
101 5.48 55
106 9.17 92
107 60.74 607
108 24.73 247
109 59.08 591
110 15.26 153
135 12.69 127
136 1 10
137 12.34 123
152 4.81 48
154 4.82 48
180 15.31 153
181 1.11 11
182 15.09 151
183 1.03 10
//