MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008605
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008605
RECORD_TITLE: HEXANAL DI-CIS-3-HEXENYL ACETAL; 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$NAME: HEXANAL DI-CIS-3-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O2
CH$EXACT_MASS: 282.25588
CH$SMILES: CCC=CCCOC(CCCCC)OCCC=CCC
CH$IUPAC: InChI=1S/C18H34O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h7-8,10-11,18H,4-6,9,12-17H2,1-3H3/b10-7-,11-8-
CH$LINK: INCHIKEY
UDANAIGXCGUZTC-DEFDFUCDSA-N
AC$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: splash10-053r-9000000000-272f0839cc2bab2e900e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 5.48 55
29 6.21 62
31 2.37 24
39 5.89 59
41 31.7 317
42 3.52 35
43 4.99 50
53 3.26 33
54 2.86 29
55 60.83 608
56 4.07 41
57 3.23 32
67 11.52 115
68 1.09 11
69 2.77 28
70 1.23 12
71 1.4 14
81 1.35 14
82 8.94 89
83 99.99 999
84 6.49 65
101 1.9 19
113 1.17 12
125 3.91 39
183 10.27 103
184 1.14 11
//