MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008896
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008896
RECORD_TITLE: TRANS-CROTONYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-CROTONYL ALCOHOL
CH$NAME: TRANS-BUT-2-EN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O
CH$EXACT_MASS: 72.05751
CH$SMILES: CC=CCO
CH$IUPAC: InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
CH$LINK: INCHIKEY
WCASXYBKJHWFMY-NSCUHMNNSA-N
CH$LINK: COMPTOX
DTXSID30883409
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0a6u-9000000000-6a6e999935ce0da214db
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 3.67 37
26 7.7 77
27 35.52 355
28 4.71 47
29 49.02 490
30 1.84 18
31 26.11 261
37 4.14 41
38 7.93 79
39 44.17 442
40 5.33 53
41 29.9 299
42 6.75 68
43 31.32 313
44 9.77 98
45 4.14 41
50 5.39 54
51 4.74 47
53 14.8 148
54 8.41 84
55 9.71 97
57 99.99 999
58 3.61 36
69 2.84 28
71 7.04 70
72 30.2 302
73 1.36 14
//