MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004672
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004672
RECORD_TITLE: 1,1-DICHLORO-1-HEPTENE; 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$NAME: 1,1-DICHLORO-1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12Cl2
CH$EXACT_MASS: 166.03161
CH$SMILES: CCCCCC=C(Cl)Cl
CH$IUPAC: InChI=1S/C7H12Cl2/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3
CH$LINK: INCHIKEY
SHIGTIVKNFPBPY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00449551
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$SPLASH: splash10-0abc-9100000000-8b58749e55025eb101c6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
42 88.63 886
43 9.23 92
49 4 40
50 1.78 18
51 7.36 74
53 4.32 43
54 1.95 20
55 67.58 676
56 10.64 106
57 62.45 625
58 2.86 29
61 1.96 20
63 1.67 17
65 3.4 34
67 2.39 24
68 14.2 142
69 14.19 142
70 99.99 999
71 5.8 58
73 4.34 43
75 5.58 56
77 1.84 18
83 11.44 114
85 3.52 35
87 4.71 47
88 3.65 37
89 3.13 31
90 1.63 16
95 11.59 116
96 2.34 23
98 1.47 15
104 2.07 21
109 15.96 160
110 1.97 20
111 10.2 102
113 1.72 17
166 13.88 139
168 8.62 86
170 1.48 15
//