MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009090
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009090
RECORD_TITLE: HEXANAL CIS-3-HEXENYL PENTYL 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$NAME: HEXANAL CIS-3-HEXENYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCC=CCCOC(CCCCC)OCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-7-10-13-16-19-17(14-11-8-5-2)18-15-12-9-6-3/h7,10,17H,4-6,8-9,11-16H2,1-3H3/b10-7-
CH$LINK: INCHIKEY
ZCGOMMOYYRGVQY-YFHOEESVSA-N
AC$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: splash10-053u-9100000000-943389872f2f1e7374e7
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 8.3 83
29 17.56 176
31 3.25 33
39 8.08 81
41 36.38 364
42 9.3 93
43 48.63 486
44 1.95 20
45 1.17 12
53 2.81 28
54 2.28 23
55 61.39 614
56 4.67 47
57 11.93 119
67 11.1 111
68 1.16 12
69 2.63 26
70 2.46 25
71 25.07 251
72 1.66 17
81 1.48 15
82 11.74 117
83 99.99 999
84 6.16 62
99 1.29 13
101 26.58 266
102 1.42 14
113 1.34 13
117 5.54 55
125 1.45 15
171 26.21 262
172 2.77 28
183 1.86 19
//
system version 2.2.8-SNAPSHOT