ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011622
RECORD_TITLE: 4-NITROPHENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-NITROPHENYL ACETATE
CH$NAME: 4-ACETOXYNITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇NO₄
CH$EXACT_MASS: 181.03751
CH$SMILES: CC(=O)Oc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
CH$LINK: CAS 830-03-5
CH$LINK: INCHIKEY QAUUDNIGJSLPSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2061191

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0006-9300000000-1f46a677a572cc91d6bc
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 3.05 31
  26 1.04 10
  30 5.31 53
  38 4.17 42
  39 5.31 53
  42 3.33 33
  43 99.99 999
  44 2.21 22
  50 3.3 33
  51 1.65 17
  52 1.45 15
  53 1.42 14
  54 1.11 11
  61 1.34 13
  62 4.17 42
  63 12.56 126
  64 6.79 68
  65 11.74 117
  74 1.59 16
  75 1.54 15
  76 1.37 14
  81 5.36 54
  92 1.13 11
  93 6.58 66
  94 1.2 12
  109 19.71 197
  110 1.62 16
  123 7.24 72
  139 17.53 175
  140 2.72 27
  181 16 160
  182 4.39 44
//