MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005271
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005271
RECORD_TITLE: O-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$NAME: O-CHLOROTOLUENE
CH$NAME: 2-CHLOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Cl
CH$EXACT_MASS: 126.02363
CH$SMILES: Cc(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
CH$LINK: INCHIKEY
IBSQPLPBRSHTTG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8023977
AC$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-9200000000-5c62ea65db101410dcba
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 1.2 12
37 1.39 14
38 2.32 23
39 9.28 93
43 1.9 19
44 2.07 21
44.5 1.67 17
45 6.7 67
50 4.08 41
51 4.46 45
61 2.07 21
62 4.59 46
63 11.89 119
64 2.65 27
65 8.26 83
73 2.32 23
74 1.25 13
75 1.58 16
86 1.16 12
89 13.19 132
90 10.87 109
91 99.99 999
92 7.98 80
99 2.16 22
125 10.49 105
126 38.03 380
127 6.13 61
128 12.54 125
129 1.02 10
//