MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000832
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000832
RECORD_TITLE: PENTAMETHYLENEHYDRAZONE ACETALDEHYDE; 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$NAME: PENTAMETHYLENEHYDRAZONE ACETALDEHYDE
CH$NAME: ACETALDEHYDE PENTAMETHYLENEHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14N2
CH$EXACT_MASS: 126.11570
CH$SMILES: CC=NN(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14N2/c1-2-8-9-6-4-3-5-7-9/h2H,3-7H2,1H3/b8-2+
CH$LINK: INCHIKEY
ANZXBMPSDRAZTQ-KRXBUXKQSA-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$SPLASH: splash10-004i-9500000000-cd63234b3b920dbcd00a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
29 24.4 244
30 13.7 137
39 13.1 131
40 0.42 4
41 31.1 311
42 61.9 619
43 8.3 83
44 1.66 17
53 3.1 31
54 5.7 57
55 36.3 363
56 1.84 18
57 10.1 101
67 2.3 23
68 3.3 33
69 3.58 36
70 28.5 285
71 10.9 109
73 3.2 32
82 1.19 12
83 15.5 155
84 25 250
85 20.2 202
97 2.73 27
111 20.2 202
125 99.99 999
126 81 810
127 6.2 62
//
system version 2.2.8-SNAPSHOT