MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003418
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003418
RECORD_TITLE: O-NITROANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: O-NITROANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO3
CH$EXACT_MASS: 153.04259
CH$SMILES: COc(c1)c(ccc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY
CFBYEGUGFPZCNF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020962
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ab9-9800000000-22149ee1beffbc2235d2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
50 11 110
51 23.9 239
52 8.8 88
53 6 60
62 6.1 61
63 22.3 223
64 2.62 26
65 21.5 215
74 5.4 54
76 7.8 78
77 8.12 81
78 29.2 292
79 7.2 72
80 6.1 61
92 4.78 48
93 16.2 162
95 16.8 168
106 99.99 999
107 0.85 9
108 4.9 49
123 65.6 656
124 8.5 85
153 6.59 66
154 6.6 66
//
system version 2.2.6-SNAPSHOT