MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000942
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000942
RECORD_TITLE: 1,2-DICHLOROPROPANE; 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$NAME: 1,2-DICHLOROPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6Cl2
CH$EXACT_MASS: 111.98466
CH$SMILES: CC(Cl)CCl
CH$IUPAC: InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
CH$LINK: CAS
78-87-5
CH$LINK: INCHIKEY
KNKRKFALVUDBJE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020448
AC$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: splash10-03di-9000000000-bad4a570768fedc57170
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
35 4 40
36 5.8 58
37 12 120
38 1.64 16
39 54.7 547
40 8.2 82
41 71.2 712
42 0.51 5
47 2.7 27
48 2 20
49 18.1 181
51 0.58 6
60 2.2 22
61 16.2 162
62 78.1 781
63 99.99 999
64 26.1 261
65 30.6 306
75 4.2 42
76 6.38 64
77 12.8 128
78 21.2 212
79 3.6 36
97 0.51 5
99 3.4 34
112 5.9 59
114 2.8 28
//