MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002101
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002101
RECORD_TITLE: ANILINE; 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$NAME: ANILINE
CH$NAME: AMINOBENZENE
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-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: splash10-00kf-9000000000-9a543eee5081cc927e82
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 1.51 15
37 1.8 18
38 3.6 36
39 10.66 107
40 4.32 43
41 3.96 40
45.5 1.51 15
46.5 4.68 47
50 2.74 27
51 3.24 32
52 3.46 35
53 1.44 14
54 3.46 35
62 2.09 21
63 3.67 37
64 2.59 26
65 18.01 180
66 42.44 424
67 4.32 43
77 1.37 14
78 1.51 15
92 11.53 115
93 99.99 999
94 6.7 67
//
system version 2.2.6-SNAPSHOT