MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003292
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003292
RECORD_TITLE: NITROSOPIPERIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: NITROSOPIPERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10N2O
CH$EXACT_MASS: 114.07931
CH$SMILES: O=NN(C1)CCCC1
CH$IUPAC: InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2
CH$LINK: INCHIKEY
UWSDONTXWQOZFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021060
AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0a4i-9100000000-d4d06a856b940bcb0461
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
51 3.29 33
52 2.64 26
53 8.36 84
54 16.62 166
55 99.99 999
56 44.19 442
57 5.88 59
67 4.2 42
68 2.21 22
69 2.1 21
82 3.93 39
83 4.1 41
84 4.85 49
114 26.71 267
115 1.8 18
//