MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001448
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001448
RECORD_TITLE: N-METHYLANILINE; 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$NAME: N-METHYLANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9N
CH$EXACT_MASS: 107.07350
CH$SMILES: CNc(c1)cccc1
CH$IUPAC: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
CH$LINK: INCHIKEY
AFBPFSWMIHJQDM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021841
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-5900000000-d3ed18531aab24e7eef1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
50 6.51 65
51 16.23 162
52 6.74 67
53 6.44 64
54 1.19 12
62 1.51 15
63 4.09 41
64 3.49 35
65 9.9 99
66 2.31 23
74 2.67 27
75 1.74 17
76 2.5 25
77 33.58 336
78 9.38 94
79 16.18 162
80 1.57 16
91 1.95 20
92 2.24 22
93 1.02 10
103 1.26 13
104 10.3 103
105 9.28 93
106 99.99 999
107 81.08 811
108 6.53 65
//