MassBank Record: JP003100



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

ACCESSION: JP003100
RECORD_TITLE: ACETOAMINOPHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ACETOAMINOPHENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H9NO2 CH$EXACT_MASS: 151.06333 CH$SMILES: CC(=O)Nc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-4900000000-ef277124e1b50b5f010e PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 36 1.5 15 37 0.7 7 38 1.8 18 39 0.49 5 40 1.4 14 41 1.9 19 42 2.3 23 43 2.64 26 44 1.2 12 50 1.5 15 51 3 30 52 0.71 7 53 10.7 107 54 3.3 33 55 2.7 27 62 0.13 1 63 2.1 21 64 1.8 18 65 2.2 22 66 0.01 0 67 0.9 9 68 1.3 13 76 0.4 4 77 0.01 0 78 1.6 16 79 19.3 193 80 12.9 129 81 0.27 3 91 0.9 9 93 0.6 6 94 0.6 6 107 0.13 1 108 10.3 103 109 99.99 999 110 8.6 86 111 0.09 1 151 26.9 269 152 3 30 //