MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007073
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007073
RECORD_TITLE: TRANS,TRANS-2,4-HEXADIENYL ACETATE; 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$NAME: TRANS,TRANS-2,4-HEXADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O2
CH$EXACT_MASS: 140.08373
CH$SMILES: CC=CC=CCOC(C)=O
CH$IUPAC: InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
CH$LINK: INCHIKEY
PXVKYPFROMBALG-VNKDHWASSA-N
AC$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: splash10-0006-9000000000-f433eb484f94ecf93aba
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 4.54 45
27 7.74 77
29 3.25 33
38 1.2 12
39 14.82 148
40 2.7 27
41 23.38 234
42 3.5 35
43 99.99 999
44 2.13 21
50 1.49 15
51 3.65 37
52 3.07 31
53 8.97 90
54 1.7 17
55 3.88 39
56 1.14 11
63 1.06 11
65 4.32 43
66 2.76 28
67 2.01 20
69 7.45 75
70 1.83 18
77 5.14 51
78 1.4 14
79 31.07 311
80 12.53 125
81 18.27 183
82 1.59 16
83 4.16 42
97 5.03 50
98 8.23 82
140 16.87 169
141 1.29 13
//
system version 2.2.8-SNAPSHOT