MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005272
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005272
RECORD_TITLE: P-CHLOROTOLUENE; 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$NAME: P-CHLOROTOLUENE
CH$NAME: 4-CHLOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Cl
CH$EXACT_MASS: 126.02363
CH$SMILES: Cc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: INCHIKEY
NPDACUSDTOMAMK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8024814
AC$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: splash10-002f-9300000000-06a13ca9fc2642d0199a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 1.29 13
37 1.39 14
38 2.27 23
39 8.59 86
41 1.03 10
43 2.12 21
44 2.07 21
44.5 1.75 18
45 7.03 70
50 4.97 50
51 4.29 43
61 2.07 21
62 4.4 44
63 10.76 108
64 2.12 21
65 8.07 81
73 2.84 28
74 1.55 16
75 2.07 21
86 1.14 11
87 1.03 10
89 8.95 90
90 3.15 32
91 99.99 999
92 7.97 80
99 2.58 26
125 16.97 170
126 40.34 403
127 7.96 80
128 12.78 128
129 1.13 11
//
system version 2.2.6-SNAPSHOT