MassBank Record: JP003044



 1,1-DICHLOROACETONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003044
RECORD_TITLE: 1,1-DICHLOROACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-DICHLOROACETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H4Cl2O CH$EXACT_MASS: 125.96392 CH$SMILES: CC(=O)C(Cl)Cl CH$IUPAC: InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-e57c15ad13860c60d209 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 25 0.5 5 26 2.3 23 27 7.5 75 28 0.13 1 29 0.9 9 35 0.5 5 36 1.1 11 37 0.08 1 38 0.8 8 39 0.7 7 40 0.3 3 41 0.06 1 42 2.1 21 43 99.99 999 44 2.1 21 45 0.02 0 47 1.1 11 48 1.7 17 49 1.1 11 50 0.06 1 51 0.2 2 53 0.1 1 55 0.1 1 60 0.02 0 61 0.4 4 62 0.4 4 63 2.2 22 64 0.02 0 65 0.6 6 76 0.7 7 78 0.2 2 82 0.01 0 83 2.6 26 84 0.2 2 85 1.7 17 87 0.03 0 91 1.3 13 92 0.2 2 93 0.4 4 94 0.01 0 126 0.4 4 128 0.3 3 //