MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009384
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009384
RECORD_TITLE: ETHYL BROMOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL BROMOACETATE
CH$NAME: BROMOACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H7BrO2
CH$EXACT_MASS: 165.96294
CH$SMILES: CCOC(=O)CBr
CH$IUPAC: InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
CH$LINK: INCHIKEY
PQJJJMRNHATNKG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020587
AC$INSTRUMENT: HITACHI M-80A
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: splash10-004i-9200000000-02c73dfeab6459048fa0
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 7.57 76
26 5.29 53
27 31.24 312
28 9.67 97
29 99.99 999
30 2.21 22
31 3.99 40
41 3.48 35
42 22.77 228
43 18.01 180
45 7.34 73
60 2.78 28
73 2.04 20
79 1.49 15
81 1.46 15
87 3.59 36
93 9.6 96
94 3.91 39
95 8.86 89
96 3.01 30
107 1.9 19
109 1.91 19
121 16.31 163
122 1.2 12
123 15.92 159
138 6.74 67
139 2.23 22
140 6.6 66
141 2.2 22
166 4.41 44
168 4.39 44
//