MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005882
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005882
RECORD_TITLE: PHENETHYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PHENETHYL CHLORIDE
CH$NAME: 2-CHLOROETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9Cl
CH$EXACT_MASS: 140.03928
CH$SMILES: ClCCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
CH$LINK: INCHIKEY
MNNZINNZIQVULG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3060748
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-0006-9100000000-6467d024b88853c292d3
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 2.66 27
28 2.66 27
38 1.02 10
39 4.7 47
50 3.89 39
51 8.79 88
52 1.84 18
63 1.02 10
64 2.66 27
66 5.93 59
74 1.23 12
75 1.02 10
77 6.54 65
78 3.27 33
79 1.84 18
89 1.43 14
91 99.99 999
92 7.98 80
103 3.89 39
104 2.25 23
105 3.07 31
140 15.13 151
141 1.23 12
142 4.91 49
//
system version 2.2.8-SNAPSHOT