MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002943
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002943
RECORD_TITLE: N-BENZYL GLYCOLAMIDE; 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$NAME: N-BENZYL GLYCOLAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO2
CH$EXACT_MASS: 165.07898
CH$SMILES: OCC(=O)NCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H11NO2/c11-7-9(12)10-6-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
CH$LINK: INCHIKEY
GUDMTEGDXVJZEE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10282572
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: splash10-0006-9300000000-c2b123e9611e50c17a38
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
28 8.39 84
29 4.04 40
30 6.87 69
31 18.73 187
39 6.09 61
50 2.87 29
51 7.69 77
63 2.39 24
65 11.81 118
77 7.91 79
78 4.31 43
79 6.12 61
89 2.32 23
91 99.99 999
92 19.38 194
104 7.02 70
105 2.43 24
106 12.01 120
107 4.81 48
118 5.77 58
119 5.52 55
147 4.11 41
165 28.45 285
166 2.78 28
//