MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003289
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003289
RECORD_TITLE: N,N-DIPROPYLNITROSOAMINE; 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$NAME: N,N-DIPROPYLNITROSOAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14N2O
CH$EXACT_MASS: 130.11061
CH$SMILES: CCCN(N=O)CCC
CH$IUPAC: InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
YLKFDHTUAUWZPQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021032
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$SPLASH: splash10-00di-9000000000-b3c25d2c178230284d42
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
54 2.58 26
56 7.74 77
57 3.26 33
58 29.07 291
59 4.61 46
69 2.17 22
70 99.99 999
71 18.88 189
101 4.61 46
113 3.66 37
130 5.29 53
//
system version 2.2.6-SNAPSHOT