MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000999
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000999
RECORD_TITLE: PARA-CYANOBENZOIC ACID ISOBUTYL ESTER; 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$NAME: PARA-CYANOBENZOIC ACID ISOBUTYL ESTER
CH$NAME: ISOBUTYL PARA-CYANOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13NO2
CH$EXACT_MASS: 203.09463
CH$SMILES: N#Cc(c1)ccc(c1)C(=O)OCC(C)C
CH$IUPAC: InChI=1S/C12H13NO2/c1-9(2)8-15-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3
CH$LINK: INCHIKEY
RYFXHNFLVQQUPO-UHFFFAOYSA-N
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$SPLASH: splash10-053r-8900000000-d71280c8ff88dd9363fd
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 4.36 44
28 1.06 11
29 4.79 48
31 1.06 11
39 4.31 43
41 13.15 132
42 2.45 25
43 6.33 63
50 3.19 32
51 5.32 53
52 1.06 11
55 2.77 28
56 80.95 810
57 6.28 63
73 2.24 22
74 1.17 12
75 8.04 80
76 5.38 54
101 1.01 10
102 34.59 346
103 5.85 59
104 1.33 13
130 99.99 999
131 9.58 96
135 1.06 11
148 10.22 102
149 1.54 15
//
system version 2.2.6-SNAPSHOT