MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009176
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009176
RECORD_TITLE: CROTONIC ACID; 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$NAME: CROTONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O2
CH$EXACT_MASS: 86.03678
CH$SMILES: CC=CC(O)=O
CH$IUPAC: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
CH$LINK: INCHIKEY
LDHQCZJRKDOVOX-NSCUHMNNSA-N
CH$LINK: COMPTOX
DTXSID30880973
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$SPLASH: splash10-000l-9000000000-c066ee0b8aa28cc564f5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
14 1.29 13
15 5.87 59
18 2 20
25 1.41 14
26 8.59 86
27 17.52 175
28 1.72 17
29 9.82 98
30 1.2 12
31 2.55 26
36 1.48 15
37 13.25 133
38 24.6 246
39 99.99 999
40 27.32 273
41 88.95 890
42 13.81 138
43 6.99 70
44 1.98 20
45 28.28 283
53 2.84 28
55 2.09 21
57 6.71 67
58 1.76 18
60 2.17 22
68 36.18 362
69 38.11 381
70 1.33 13
71 11.89 119
85 2.4 24
86 90.05 901
87 4.62 46
//