MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005276
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005276
RECORD_TITLE: CHLOROACETIC ACID ETHYL ESTER; 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$NAME: CHLOROACETIC ACID ETHYL ESTER
CH$NAME: ETHYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H7ClO2
CH$EXACT_MASS: 122.01346
CH$SMILES: CCOC(=O)CCl
CH$IUPAC: InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
CH$LINK: INCHIKEY
VEUUMBGHMNQHGO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4026715
AC$INSTRUMENT: HITACHI RMU-6M
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-9000000000-c5cc066f10ab36c547f5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
14 2.64 26
15 2.85 29
26 2.59 26
27 19.36 194
28 23.27 233
29 99.99 999
30 2.17 22
31 1.32 13
42 7.72 77
43 3.17 32
45 4.12 41
48 1.37 14
49 14.44 144
51 4.44 44
60 1.27 13
73 1.69 17
76 1.16 12
77 29.83 298
78 1 10
79 9.68 97
94 3.96 40
95 1.8 18
96 1.22 12
107 1.85 19
122 1.37 14
//