MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000220
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000220
RECORD_TITLE: PARA NITRO ANISOLE; 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$NAME: PARA NITRO ANISOLE
CH$NAME: PARA METHOXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO3
CH$EXACT_MASS: 153.04259
CH$SMILES: COc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
CH$LINK: COMPTOX
DTXSID9059208
CH$LINK: INCHIKEY
BNUHAJGCKIQFGE-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7485
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$SPLASH: splash10-0w4l-9400000000-d414686ceef07883b9a1
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 2.56 26
26 2.1 21
27 3.3 33
28 3.41 34
30 3.92 39
37 2.56 26
38 10.23 102
39 6.14 61
41 9.32 93
50 18.48 185
51 11.37 114
52 5.57 56
53 4.21 42
61 2.27 23
62 6.37 64
63 28.6 286
64 45.25 453
65 5.68 57
74 7.11 71
75 6.71 67
76 7.56 76
77 79.25 793
78 6.59 66
79 3.24 32
80 3.75 38
92 66.46 665
93 4.43 44
95 14.21 142
106 3.41 34
107 13.93 139
123 37.24 372
124 2.56 26
137 8.3 83
153 99.99 999
154 8.24 82
//
system version 2.2.6-SNAPSHOT