MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001660
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001660
RECORD_TITLE: PARA-NITROBENZALDEHYDE; 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$NAME: PARA-NITROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5NO3
CH$EXACT_MASS: 151.02694
CH$SMILES: O=Cc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
CH$LINK: INCHIKEY
BXRFQSNOROATLV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5022061
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$SPLASH: splash10-0udi-9500000000-5c59f32e9a8085f6918f
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
26 1.39 14
27 9.07 91
28 6.14 61
29 10.46 105
30 15.27 153
37 5.58 56
38 8.02 80
39 13.6 136
46 1.39 14
49 3.14 31
50 47 470
51 99.99 999
52 4.81 48
53 2.09 21
61 2.65 27
62 3.97 40
63 6.21 62
64 4.88 49
65 15.97 160
66 1.26 13
73 3.42 34
74 19.04 190
75 17.43 174
76 26.36 264
77 91.91 919
78 5.93 59
92 12.06 121
93 3.7 37
94 1.39 14
103 1.67 17
104 22.94 229
105 28.8 288
106 2.16 22
120 10.25 103
121 1.74 17
135 1.74 17
150 98.33 983
151 96.23 962
152 8.23 82
//
system version 2.2.6-SNAPSHOT