MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010574
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010574
RECORD_TITLE: 4-METHOXY-1,2-PHENYLENEDIAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHOXY-1,2-PHENYLENEDIAMINE
CH$NAME: 3,4-DIAMINOANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10N2O
CH$EXACT_MASS: 138.07931
CH$SMILES: COc(c1)cc(N)c(N)c1
CH$IUPAC: InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
CH$LINK: INCHIKEY
AGAHETWGCFCMDK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00144514
AC$INSTRUMENT: HITACHI M-80
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: splash10-007a-7900000000-7ab3b715df656b509f7d
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
14 1.12 11
15 7.7 77
18 2.03 20
27 1.89 19
28 15.12 151
29 2.01 20
32 1.3 13
38 1.44 14
39 3.68 37
40 2.61 26
41 8.18 82
42 3 30
43 1.22 12
50 1.69 17
52 9.1 91
53 6.09 61
54 4.59 46
66 1.62 16
67 6.14 61
68 6.49 65
69 1.9 19
76 1.11 11
78 8.4 84
79 2.02 20
80 3.7 37
81 1.02 10
94 3.5 35
95 50.82 508
96 6.5 65
106 1.23 12
107 1.22 12
110 7.18 72
123 65.52 655
124 5.3 53
137 2.41 24
138 99.99 999
139 9.58 96
//