MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000836
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000836
RECORD_TITLE: DIMETHYLHYDRAZONE VALERALDEHYDE; 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$NAME: DIMETHYLHYDRAZONE VALERALDEHYDE
CH$NAME: PENTANAL DIMETHYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16N2
CH$EXACT_MASS: 128.13135
CH$SMILES: CCCCC=NN(C)C
CH$IUPAC: InChI=1S/C7H16N2/c1-4-5-6-7-8-9(2)3/h7H,4-6H2,1-3H3/b8-7-
CH$LINK: INCHIKEY
GETAETQIBNJCHL-FPLPWBNLSA-N
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$SPLASH: splash10-0006-9000000000-0f0ce54b2c4984a4d6df
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 19.4 194
29 12.5 125
30 10 100
39 0.76 8
41 17.5 175
42 46.2 462
43 48.8 488
44 99.99 999
45 36.2 362
46 4.1 41
55 5.5 55
56 0.75 8
57 5.5 55
58 8.8 88
70 2.8 28
71 1.56 16
72 3.2 32
83 2.4 24
84 3.1 31
85 8.11 81
86 83.9 839
87 4.8 48
99 17.5 175
100 0.3 3
113 11.3 113
114 1 10
127 2.2 22
128 6.61 66
129 6.1 61
//
system version 2.2.6-SNAPSHOT