MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000827
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000827
RECORD_TITLE: DIMETHYLHYDRAZONE PROPIONALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYLHYDRAZONE PROPIONALDEHYDE
CH$NAME: PROPIONALDEHYDE DIMETHYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12N2
CH$EXACT_MASS: 100.10005
CH$SMILES: CCC=NN(C)C
CH$IUPAC: InChI=1S/C5H12N2/c1-4-5-6-7(2)3/h5H,4H2,1-3H3/b6-5+
CH$LINK: INCHIKEY
FWXVUFLNENPJHD-AATRIKPKSA-N
CH$LINK: COMPTOX
DTXSID90421508
AC$INSTRUMENT: SHIMADZU LKB-2091
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: splash10-0006-9000000000-4217686f38b85f2bcb82
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 15.8 158
28 26.7 267
29 11.1 111
30 0.91 9
39 6.9 69
40 3.3 33
41 10.6 106
42 4.54 45
43 66.1 661
44 99.99 999
45 49.1 491
46 0.27 3
54 2.6 26
55 2.4 24
56 10.3 103
57 0.35 4
58 15.7 157
59 2.8 28
71 5.9 59
72 0.15 2
85 34.6 346
86 2.2 22
99 9 90
100 7.24 72
101 6.4 64
//
system version 2.2.6-SNAPSHOT