MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001658

PARA-NITROACETOPHENONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001658
RECORD_TITLE: PARA-NITROACETOPHENONE; 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

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CH$NAME: PARA-NITROACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇NO₃
CH$EXACT_MASS: 165.04259
CH$SMILES: CC(=O)c(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
CH$LINK: INCHIKEY YQYGPGKTNQNXMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025724

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udi-3900000000-ef4aa0cf3d727e6de0be
PK$NUM_PEAK: 25
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//