MassBank Record: JP003418



 O-NITROANISOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003418
RECORD_TITLE: O-NITROANISOLE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KOGA MUNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, 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$LINK: INCHIKEY CFBYEGUGFPZCNF-UHFFFAOYSA-N
AC$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 //