MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008203
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008203
RECORD_TITLE: (E)-2-HEXENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: (E)-2-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O
CH$EXACT_MASS: 98.07316
CH$SMILES: CCCC([H])=C([H])C=O
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9000000000-c02b1abe303dbed47047
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
39 25.29 253
41 99.99 999
42 75 750
53 8.82 88
54 17.65 177
55 58.82 588
56 9.41 94
57 67.65 677
67 2.65 27
68 5.88 59
69 61.76 618
70 17.65 177
79 7.35 74
80 11.76 118
81 1.47 15
83 83.82 838
84 4.41 44
96 17.65 177
98 46.25 463
99 2.65 27
//