MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004935
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004935
RECORD_TITLE: ETHYL CHLOROACETATE; 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$NAME: ETHYL CHLOROACETATE
CH$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$LINK: CAS
105-39-5
CH$LINK: INCHIKEY
VEUUMBGHMNQHGO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4026715
AC$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: splash10-004l-9000000000-0468979fb972805a2475
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
42 36.48 365
43 17.38 174
44 13.3 133
45 14.59 146
49 44.2 442
51 16.09 161
73 6.22 62
77 99.99 999
79 31.33 313
94 11.58 116
95 6.22 62
107 7.08 71
//