MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004217
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004217
RECORD_TITLE: TRIBROMOACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: TRIBROMOACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H3Br3O2
CH$EXACT_MASS: 307.76832
CH$SMILES: COC(=O)C(Br)(Br)Br
CH$IUPAC: InChI=1S/C3H3Br3O2/c1-8-2(7)3(4,5)6/h1H3
CH$LINK: INCHIKEY
QQHSHLKOWBDOFC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20334394
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0a4l-9200000000-e61e093dd7475eb54ffb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
38 1.9 19
40 19 190
43 32.5 325
51 0.19 2
53 3 30
59 99.99 999
60 3.7 37
80 0.17 2
82 1.7 17
107 1.7 17
121 17.6 176
123 1.65 17
149 7 70
151 7.5 75
173 1.9 19
187 0.17 2
213 2.8 28
215 5.3 53
216 2.6 26
217 2.8 28
//