MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008756
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008756
RECORD_TITLE: N-BUTYL-2-HYDROXY-3-METHYL-4-PENTENAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TSUNODA T, FACULTY OF PHARMACEUTICAL SCIENCES, TOKUSHIMA BUNRI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: N-BUTYL-2-HYDROXY-3-METHYL-4-PENTENAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H19NO2
CH$EXACT_MASS: 185.14158
CH$SMILES: CCCCNC(=O)C(O)C(C)C=C
CH$IUPAC: InChI=1S/C10H19NO2/c1-4-6-7-11-10(13)9(12)8(3)5-2/h5,8-9,12H,2,4,6-7H2,1,3H3,(H,11,13)
CH$LINK: INCHIKEY
PYKIEYOLXBNQDR-UHFFFAOYSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-053u-9200000000-93585647421fd5449873
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 13.4 134
29 37.3 373
30 44.3 443
39 18.7 187
41 51.9 519
42 6.9 69
43 55.9 559
44 8.2 82
46 10.4 104
53 7.7 77
55 25.8 258
56 12 120
57 99.99 999
58 11.4 114
59 15.2 152
67 7.2 72
68 6.7 67
69 5.5 55
71 6.4 64
72 8.2 82
73 5 50
74 24.7 247
85 5 50
95 14.8 148
96 5.9 59
100 15.7 157
102 16 160
110 5 50
130 92.6 926
131 20.2 202
167 8.8 88
185 3.2 32
186 4.1 41
//