MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001333
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001333
RECORD_TITLE: PARA-TOLUIDINE; 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$NAME: PARA-TOLUIDINE
CH$NAME: PARA-AMINOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
CH$LINK: INCHIKEY
RZXMPPFPUUCRFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021872
AC$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: splash10-0a4i-3900000000-d9561648fdef3fb110a3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 2.5 25
28 3.11 31
30 1.01 10
38 1.15 12
39 4.26 43
41 1.62 16
50 2.43 24
51 4.8 48
52 4.93 49
52.5 1.89 19
53 5.81 58
53.5 3.11 31
54 2.09 21
63 2.16 22
65 2.16 22
66 1.22 12
77 14.05 141
78 4.26 43
79 9.46 95
80 2.77 28
89 1.35 14
91 2.03 20
104 2.64 26
105 1.82 18
106 99.99 999
107 72.43 724
108 5.34 53
//
system version 2.2.6-SNAPSHOT