MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005269
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005269
RECORD_TITLE: M-CHLOROANILINE; 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$NAME: M-CHLOROANILINE
CH$NAME: 3-CHLOROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6ClN
CH$EXACT_MASS: 127.01888
CH$SMILES: Nc(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
CH$LINK: INCHIKEY
PNPCRKVUWYDDST-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0024761
AC$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: splash10-004i-7900000000-54dad2f5a9187b00fde0
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
37 2.75 28
38 4.39 44
39 8.57 86
40 1.07 11
41 3.47 35
42 1.17 12
44.5 1.83 18
45.5 8.39 84
50 2.24 22
51 1.64 16
52 4.08 41
61 2.34 23
62 3.47 35
63 7.54 75
63.5 6.21 62
64 6.23 62
64.5 1.99 20
65 23.51 235
66 2.85 29
73 2.75 28
74 1.22 12
75 1.43 14
90 2.24 22
91 5.77 58
92 18.46 185
93 1.38 14
99 5.2 52
100 7.34 73
101 2.19 22
102 2.45 25
126 1.84 18
127 99.99 999
128 7.65 77
129 31.64 316
130 2.24 22
//
system version 2.2.6-SNAPSHOT