MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004288
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
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$LINK: COMPTOX
DTXSID2020977
AC$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
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$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
//