MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008675
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008675
RECORD_TITLE: CIS-3-HEXENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CIS-3-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O
CH$EXACT_MASS: 98.07316
CH$SMILES: CCC=CCC=O
CH$IUPAC: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
CH$LINK: INCHIKEY
GXANMBISFKBPEX-ARJAWSKDSA-N
CH$LINK: COMPTOX
DTXSID30884335
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-e5a3c79d27472fedbaa8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 1.84 18
26 2.48 25
27 24.44 244
28 1.78 18
29 16 160
37 1.2 12
38 3.11 31
39 33.82 338
40 3.37 34
41 99.99 999
42 17.55 176
43 9.49 95
50 2.17 22
51 2.73 27
52 1.06 11
53 8.93 89
54 3.22 32
55 22.95 230
56 3.22 32
57 1.29 13
65 1.25 13
67 2.73 27
68 30.86 309
70 8.01 80
79 1.09 11
80 5.73 57
83 7.2 72
97 1.11 11
98 5.64 56
//