MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000077
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000077
RECORD_TITLE: ISOBUTYL PARA HYDROXY BENZOATE; 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$NAME: ISOBUTYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O3
CH$EXACT_MASS: 194.09429
CH$SMILES: CC(C)COC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
CH$LINK: INCHIKEY
XPJVKCRENWUEJH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020749
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$SPLASH: splash10-00dr-4900000000-3d0134adeb830e265010
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 4.78 48
29 3.18 32
39 12.74 127
41 6.37 64
43 3.34 33
59 3.03 30
63 3.03 30
64 2.39 24
65 19.03 190
66 2.39 24
92 1.75 18
93 19.51 195
94 3.9 39
95 1.43 14
120 1.27 13
121 99.99 999
122 9.87 99
123 1.27 13
138 48.01 480
139 6.85 69
//