MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001659
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001659
RECORD_TITLE: META-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$NAME: META-NITROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5NO3
CH$EXACT_MASS: 151.02694
CH$SMILES: O=Cc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
CH$LINK: INCHIKEY
ZETIVVHRRQLWFW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8049383
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$SPLASH: splash10-0udi-9600000000-f2894ea4fbbd37052a02
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 6.07 61
28 5.55 56
29 7.19 72
30 6.07 61
31 3.81 38
32 2.77 28
37 3.21 32
38 4.42 44
39 7.8 78
49 1.73 17
50 32.84 328
51 86.92 869
52 3.99 40
62 2.43 24
63 4.33 43
64 3.12 31
65 11.01 110
73 1.99 20
74 12.82 128
75 14.04 140
76 26.52 265
77 99.99 999
78 6.24 62
92 4.42 44
93 1.65 17
104 19.5 195
105 53.21 532
106 3.99 40
120 3.47 35
121 2.69 27
135 1.56 16
150 84.84 848
151 87.52 875
152 8.15 82
//