MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004673
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004673
RECORD_TITLE: 1,1-DICHLORO-3-METHYL-1-HEXENE; 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$NAME: 1,1-DICHLORO-3-METHYL-1-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12Cl2
CH$EXACT_MASS: 166.03161
CH$SMILES: CCCC(C)C=C(Cl)Cl
CH$IUPAC: InChI=1S/C7H12Cl2/c1-3-4-6(2)5-7(8)9/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY
ZKIPLTGOCRHGCH-UHFFFAOYSA-N
AC$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: splash10-00di-9600000000-2381328771d14c197ee6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
41 19.22 192
42 12.33 123
43 23.77 238
51 10.01 100
53 4.94 49
55 21.31 213
56 3.85 39
65 3.78 38
70 99.99 999
71 6.08 61
75 4.03 40
87 26.11 261
89 15.89 159
91 2.74 27
95 2.78 28
109 15.83 158
110 11.54 115
111 10.42 104
112 7.58 76
123 67.24 672
124 6.53 65
125 44.38 444
126 3.57 36
127 7.53 75
166 12.5 125
168 7.99 80
//
system version 2.2.8-SNAPSHOT