MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005268
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005268
RECORD_TITLE: O-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$NAME: O-CHLOROANILINE
CH$NAME: 2-CHLOROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6ClN
CH$EXACT_MASS: 127.01888
CH$SMILES: Nc(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
CH$LINK: INCHIKEY
AKCRQHGQIJBRMN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021810
AC$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-7900000000-67f5307905643f810ff5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
37 2.92 29
38 4.83 48
39 8.11 81
40 1.06 11
41 3.76 38
42 1.24 12
44.5 1.95 20
45.5 8.95 90
50 1.91 19
51 1.86 19
52 5.62 56
61 2.13 21
62 3.14 31
63 8.2 82
63.5 6.52 65
64 9.66 97
64.5 2.08 21
65 18.12 181
66 2.52 25
73 3.01 30
75 1.19 12
90 2.53 25
91 8.16 82
92 17.38 174
93 1.46 15
99 4.09 41
100 5.4 54
101 2.08 21
102 1.82 18
126 1.81 18
127 99.99 999
128 7.71 77
129 32.54 325
130 2.35 24
//