MassBank Record: JP000091



 N-ACETYL-SERINE METHYLESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000091
RECORD_TITLE: N-ACETYL-SERINE METHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-SERINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H11NO4 CH$EXACT_MASS: 161.06881 CH$SMILES: COC(=O)C([H])(CO)NC(C)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-4(9)7-5(3-8)6(10)11-2/h5,8H,3H2,1-2H3,(H,7,9)/t5-/m1/s1
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-0006-9200000000-5bcf38399f17afb03bdb PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 27 4.74 47 28 16.01 160 29 4.88 49 31 3.02 30 32 2.13 21 33 3.85 39 38 1.65 17 39 5.43 54 40 7.22 72 41 31.27 313 42 61.86 619 43 99.99 999 44 5.02 50 45 1.58 16 52 2.54 25 53 2.06 21 54 2.47 25 55 1.58 16 56 2.27 23 58 1.31 13 59 3.16 32 63 1.92 19 65 2.47 25 68 2.13 21 71 10.65 107 74 1.1 11 80 2.54 25 83 1.58 16 84 4.81 48 100 1.44 14 101 43.64 436 102 3.57 36 105 1.37 14 109 1.37 14 111 12.58 126 112 3.99 40 143 19.52 195 144 1.58 16 //