MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004288

NITROMETHANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004288
RECORD_TITLE: NITROMETHANE; 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$NAME: NITROMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CH₃NO₂
CH$EXACT_MASS: 61.01638
CH$SMILES: C[N+1]([O-1])=O
CH$IUPAC: InChI=1S/CH3NO2/c1-2(3)4/h1H3
CH$LINK: CAS 75-52-5
CH$LINK: INCHIKEY LYGJENNIWJXYER-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020977

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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$SPLASH: splash10-015c-9000000000-5d401a6fa80aa916b4e3
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 3.67 37
  15 27.16 272
  16 6.88 69
  17 19.26 193
  18 68.72 687
  26 7.34 73
  27 34.59 346
  28 17.43 174
  29 13.76 138
  30 99.99 999
  31 1.38 14
  38 1.83 18
  39 2.75 28
  40 7.34 73
  41 14.68 147
  42 3.58 36
  43 6.88 69
  44 45.32 453
  45 10.18 102
  46 35.05 351
  60 4.5 45
  61 48.26 483
//