MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009091
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009091
RECORD_TITLE: HEXANAL TRANS-2-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$NAME: HEXANAL TRANS-2-HEXENYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCC=CCOC(CCCCC)OCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-7-10-13-16-19-17(14-11-8-5-2)18-15-12-9-6-3/h10,13,17H,4-9,11-12,14-16H2,1-3H3/b13-10+
CH$LINK: INCHIKEY
LZISIXHTZISKMZ-JLHYYAGUSA-N
AC$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-9000000000-365e9efffdd78054569e
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 7.48 75
29 11.84 118
31 1.61 16
39 5.94 59
41 26.72 267
42 6.04 60
43 33.49 335
44 1.91 19
53 1.96 20
54 6.28 63
55 41.19 412
56 3.65 37
57 14.4 144
67 5.58 56
69 2.06 21
70 1.99 20
71 27.3 273
72 1.53 15
82 5.99 60
83 99.99 999
84 7.31 73
99 1.63 16
100 1.06 11
101 11.46 115
113 1.37 14
117 2.9 29
127 1.59 16
139 3.53 35
171 5.54 55
//