MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003574
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003574
RECORD_TITLE: ACRYLOYLAMINOMETHYL (3,5-DI-TERT-BUTYL-4-HYDROXY)BENZYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ACRYLOYLAMINOMETHYL (3,5-DI-TERT-BUTYL-4-HYDROXY)BENZYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H29NO3
CH$EXACT_MASS: 319.21474
CH$SMILES: C=CC(=O)NCOCc(c1)cc(C(C)(C)C)c(O)c1C(C)(C)C
CH$IUPAC: InChI=1S/C19H29NO3/c1-8-16(21)20-12-23-11-13-9-14(18(2,3)4)17(22)15(10-13)19(5,6)7/h8-10,22H,1,11-12H2,2-7H3,(H,20,21)
CH$LINK: INCHIKEY
QLARJGZMKICHSE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00628107
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-6390000000-0e438729d45209bf6bad
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
27 5.28 53
29 13.24 132
31 2.92 29
39 4.82 48
41 20.65 207
43 5.75 58
51 2.01 20
53 3.31 33
55 11.49 115
57 31.46 315
65 2.73 27
67 2.25 23
69 2.03 20
77 5.56 56
79 3.91 39
80 3.34 33
85 2.16 22
89 3.52 35
91 11.36 114
103 5.19 52
105 4.36 44
107 2.48 25
115 4.58 46
117 3.55 36
119 2.57 26
121 2.07 21
128 3.84 38
129 4.61 46
131 7.04 70
145 2.9 29
147 6.44 64
161 7.01 70
163 2.07 21
175 2.31 23
177 2.32 23
179 2.47 25
193 5.37 54
203 2.51 25
205 4.6 46
207 3.49 35
219 9.41 94
220 2.3 23
221 99.99 999
222 15.31 153
235 8.16 82
236 39.03 390
237 6.08 61
//