MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004912
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004912
RECORD_TITLE: TRANS-1,4-DICHLORO-2-BUTENE; 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$NAME: TRANS-1,4-DICHLORO-2-BUTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6Cl2
CH$EXACT_MASS: 123.98466
CH$SMILES: ClCC=CCCl
CH$IUPAC: InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
CH$LINK: CAS
764-41-0
CH$LINK: INCHIKEY
FQDIANVAWVHZIR-OWOJBTEDSA-N
CH$LINK: COMPTOX
DTXSID6020434
AC$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: splash10-004i-9000000000-17ef71e72caab134c987
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
49 6.52 65
50 5.13 51
51 10.55 106
52 2.54 25
53 40.17 402
54 10.58 106
57 1.37 14
61 2.52 25
62 23.57 236
63 3.11 31
64 7.74 77
73 1.11 11
75 99.99 999
76 3.64 36
77 32.92 329
78 1.08 11
87 2.13 21
88 13.1 131
89 41.58 416
90 6.1 61
91 11.96 120
93 3.07 31
95 1.66 17
124 17.33 173
126 11.46 115
128 1.92 19
//