MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000874
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000874
RECORD_TITLE: ISOPROPYLHYDRAZONE CROTONE ALDEHYDE; 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$NAME: ISOPROPYLHYDRAZONE CROTONE ALDEHYDE
CH$NAME: 2-BUTENAL ISOPROPYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14N2
CH$EXACT_MASS: 126.11570
CH$SMILES: CC=CC=NNC(C)C
CH$IUPAC: InChI=1S/C7H14N2/c1-4-5-6-8-9-7(2)3/h4-7,9H,1-3H3/b5-4+,8-6+
CH$LINK: INCHIKEY
VFPIMXUWBJRDMY-DVBIZMGNSA-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$SPLASH: splash10-01r6-9300000000-4181488a212155c6a426
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
26 29.5 295
27 29.5 295
28 18 180
29 0.98 10
30 8.4 84
39 32.8 328
40 5.1 51
41 6.07 61
42 36.1 361
43 27 270
44 86.9 869
45 0.25 3
53 7.9 79
54 4.9 49
55 13.1 131
56 2.13 21
57 3.6 36
58 6.4 64
67 6.2 62
68 2.95 30
69 27.9 279
70 6.6 66
81 2.3 23
82 0.9 9
83 55.9 559
84 4.6 46
111 99.99 999
112 0.72 7
126 59.9 599
127 5.1 51
//