MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004657
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004657
RECORD_TITLE: ETHYL BROMOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL BROMOACETATE
CH$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$LINK: CAS
105-36-2
CH$LINK: INCHIKEY
PQJJJMRNHATNKG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020587
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-0btc-9100000000-8cbb490b30659f3b6cf2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
41 7.96 80
42 17.83 178
43 22.53 225
44 15.43 154
45 21.83 218
59 99.99 999
60 29.03 290
61 21.77 218
70 9.7 97
73 3.31 33
87 4.27 43
88 39.79 398
89 3.45 35
93 7.27 73
94 4.27 43
95 6.84 68
96 3.02 30
103 2.66 27
121 12.45 125
123 13.33 133
138 5.31 53
140 5.76 58
166 2.07 21
168 2.96 30
//