MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008674
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008674
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O
CH$EXACT_MASS: 98.07316
CH$SMILES: CCCC=CC=O
CH$IUPAC: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
CH$LINK: INCHIKEY
MBDOYVRWFFCFHM-SNAWJCMRSA-N
CH$LINK: COMPTOX
DTXSID1041425
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$SPLASH: splash10-054o-9000000000-b289f8b06100232f2fe2
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
15 3.73 37
26 7.42 74
27 53.3 533
28 7.51 75
29 43.78 438
31 1.8 18
37 3.19 32
38 9.58 96
39 72.71 727
40 12.42 124
41 99.99 999
42 56.99 570
43 17.52 175
44 2.03 20
50 4.57 46
51 5.98 60
52 2.56 26
53 11.66 117
54 9.27 93
55 63.95 640
56 12.63 126
57 39.75 398
58 1.59 16
62 1.29 13
63 1.79 18
65 2.53 25
66 1 10
67 3.46 35
68 5.9 59
69 53.36 534
70 16.06 161
71 1.37 14
79 5.09 51
80 6.18 62
81 2.22 22
83 46.74 467
84 2.41 24
97 7.51 75
98 20.47 205
99 1.43 14
//
system version 2.2.8-SNAPSHOT