MassBank Record: JP005836



 1,2,3-TRICHLOROPROPANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP005836
RECORD_TITLE: 1,2,3-TRICHLOROPROPANE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRICHLOROPROPANE CH$NAME: GLYCEROL TRICHLOROHYDRIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H5Cl3 CH$EXACT_MASS: 145.94568 CH$SMILES: ClCC(Cl)CCl CH$IUPAC: InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2 CH$LINK: INCHIKEY CFXQEHVMCRXUSD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021390
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01t9-9300000000-c8554170f7d6b3c938cf PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 39 7.98 80 41 3.4 34 49 9.74 97 51 3.25 33 61 21.28 213 62 9.35 94 63 8.17 82 64 2.92 29 75 99.99 999 76 3.47 35 77 30.26 303 83 1.47 15 85 1 10 96 2.97 30 97 14.05 141 98 2.06 21 99 8.91 89 101 1.85 19 109 1.3 13 110 44.82 448 111 4.37 44 112 29.01 290 113 2.55 26 114 4.97 50 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)