MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003982
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003982
RECORD_TITLE: ANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N
CH$EXACT_MASS: 93.05785
CH$SMILES: Nc(c1)cccc1
CH$IUPAC: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
CH$LINK: INCHIKEY
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020090
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0006-9000000000-e04550d3cafee77e6192
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1 10
26 2.1 21
27 2.5 25
28 0.76 8
37 3 30
38 6.9 69
39 16.7 167
40 0.53 5
41 5.2 52
42 2.1 21
45 1.9 19
47 0.78 8
50 3 30
51 4.5 45
52 4.5 45
53 0.19 2
54 4.9 49
61 1.8 18
62 2.9 29
63 0.38 4
64 2 20
65 18.2 182
66 32.6 326
67 0.41 4
74 2 20
76 1.5 15
77 1.5 15
78 0.13 1
91 1.8 18
92 10 100
93 99.99 999
94 5.7 57
//