MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000187
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000187
RECORD_TITLE: PARA CHLOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA CHLOROTOLUENE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-002f-9300000000-98b502e29fa6a28fd64a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 1.15 12
37 1.02 10
38 1.78 18
39 7.2 72
41 1.27 13
43 2.1 21
44 1.78 18
44.5 1.27 13
45 4.59 46
50 3.51 35
51 3.51 35
61 1.47 15
62 3.19 32
63 8.92 89
64 1.66 17
65 9.75 98
73 2.36 24
75 1.91 19
89 9.43 94
90 2.42 24
91 99.99 999
92 7.52 75
99 2.55 26
101 0.7 7
125 14.66 147
126 33.08 331
127 7.01 70
128 10.64 106
129 0.76 8
//