ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000226
RECORD_TITLE: META-NITROPHENOL; 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$NAME: META-NITROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₃
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY RTZZCYNQPHTPPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025765

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-004l-9400000000-557247c97c669aabed39
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 3.2 32
  27 7.9 79
  28 1.5 15
  29 0.3 3
  30 11.1 111
  37 6.8 68
  38 18 180
  39 8.28 83
  40 2.7 27
  42 1.2 12
  43 1.2 12
  49 0.14 1
  50 6.9 69
  51 4.9 49
  52 2.4 24
  53 1.22 12
  55 2.9 29
  61 4.3 43
  62 9 90
  63 2.29 23
  74 2.8 28
  75 2.6 26
  81 21.4 214
  92 0.32 3
  93 50.6 506
  94 4 40
  109 3.2 32
  113 0.1 1
  129 83.6 836
  130 6 60
//